(2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol

C114H120O33 — CID 165024545

IUPAC(2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol
SMILESCC(=O)Oc1ccc(O)cc1.CC(=O)Oc1cccc(O)c1.CC(=O)Oc1ccccc1O.CC(=O)c1ccc(O)cc1.CC(=O)c1cccc(O)c1.CC(=O)c1ccccc1O.COC(=O)c1ccc(O)cc1.COC(=O)c1cccc(O)c1.COC(=O)c1ccccc1O.COc1ccc(O)cc1.COc1cccc(O)c1.COc1ccccc1O.Cc1ccc(O)cc1.Cc1cccc(O)c1.Cc1ccccc1O
InChIInChI=1S/6C8H8O3.3C8H8O2.3C7H8O2.3C7H8O/c1-11-8(10)6-2-4-7(9)5-3-6;1-6(9)11-8-4-2-7(10)3-5-8;1-11-8(10)6-3-2-4-7(9)5-6;1-6(9)11-8-4-2-3-7(10)5-8;1-11-8(10)6-4-2-3-5-7(6)9;1-6(9)11-8-5-3-2-4-7(8)10;1-6(9)7-2-4-8(10)5-3-7;1-6(9)7-3-2-4-8(10)5-7;1-6(9)7-4-2-3-5-8(7)10;1-9-7-4-2-6(8)3-5-7;1-9-7-4-2-3-6(8)5-7;1-9-7-5-3-2-4-6(7)8;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h2-5,9H,1H3;2-5,10H,1H3;2-5,9H,1H3;2-5,10H,1H3;2-5,9H,1H3;2-5,10H,1H3;3*2-5,10H,1H3;3*2-5,8H,1H3;3*2-5,8H,1H3
InChIKeyLRCOJJODNNVVNL-UHFFFAOYSA-N
MW2018.18 g/mol
LogP21.58
Rot. Bonds12

About (2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol

(2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol (PubChem CID 165024545) has the molecular formula C114H120O33 and a molecular weight of 2018.18 g/mol. Its IUPAC name is (2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol.

Molecular Properties

Compound Name(2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol
PubChem CID165024545
Molecular FormulaC114H120O33
Molecular Weight2018.18 g/mol
Exact Mass2016.77
IUPAC Name(2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol
SMILESCC(=O)Oc1ccc(O)cc1.CC(=O)Oc1cccc(O)c1.CC(=O)Oc1ccccc1O.CC(=O)c1ccc(O)cc1.CC(=O)c1cccc(O)c1.CC(=O)c1ccccc1O.COC(=O)c1ccc(O)cc1.COC(=O)c1cccc(O)c1.COC(=O)c1ccccc1O.COc1ccc(O)cc1.COc1cccc(O)c1.COc1ccccc1O.Cc1ccc(O)cc1.Cc1cccc(O)c1.Cc1ccccc1O
InChIInChI=1S/6C8H8O3.3C8H8O2.3C7H8O2.3C7H8O/c1-11-8(10)6-2-4-7(9)5-3-6;1-6(9)11-8-4-2-7(10)3-5-8;1-11-8(10)6-3-2-4-7(9)5-6;1-6(9)11-8-4-2-3-7(10)5-8;1-11-8(10)6-4-2-3-5-7(6)9;1-6(9)11-8-5-3-2-4-7(8)10;1-6(9)7-2-4-8(10)5-3-7;1-6(9)7-3-2-4-8(10)5-7;1-6(9)7-4-2-3-5-8(7)10;1-9-7-4-2-6(8)3-5-7;1-9-7-4-2-3-6(8)5-7;1-9-7-5-3-2-4-6(7)8;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h2-5,9H,1H3;2-5,10H,1H3;2-5,9H,1H3;2-5,10H,1H3;2-5,9H,1H3;2-5,10H,1H3;3*2-5,10H,1H3;3*2-5,8H,1H3;3*2-5,8H,1H3
InChIKeyLRCOJJODNNVVNL-UHFFFAOYSA-N
XLogP21.58
TPSA540.15 Ų
H-Bond Donors15
H-Bond Acceptors33
Rotatable Bonds12
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002018.18
LogP ≤ 521.58
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol with MolForge

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Related Compounds

1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone
CID 158730287
1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone
CID 161237326
methyl 4-hydroxybenzoate;3-methylphenol
CID 174792609
1-(5-methoxynaphthalen-1-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone;1-(3-methoxyphenyl)ethanone;bis(1-(4-methoxyphenyl)ethanone);1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 159692280
(3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate
CID 66771976
formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol
CID 170853044
methyl 3-acetyloxybenzoate
CID 577969
1-O-methyl 2-O-phenyl 3-(4-methoxybenzoyl)oxy-6-(3-methylbenzoyl)oxybenzene-1,2-dicarboxylate
CID 144750310
(4-methoxycarbonylphenyl) 2-methylbenzoate
CID 576739
(4-acetylphenyl) 3-methylbenzoate
CID 795319
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone)
CID 157460440

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol?
The IUPAC name of (2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol (CID 165024545) is (2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol.
What is the SMILES notation for (2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol?
The canonical SMILES for (2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol is CC(=O)Oc1ccc(O)cc1.CC(=O)Oc1cccc(O)c1.CC(=O)Oc1ccccc1O.CC(=O)c1ccc(O)cc1.CC(=O)c1cccc(O)c1.CC(=O)c1ccccc1O.COC(=O)c1ccc(O)cc1.COC(=O)c1cccc(O)c1.COC(=O)c1ccccc1O.COc1ccc(O)cc1.COc1cccc(O)c1.COc1ccccc1O.Cc1ccc(O)cc1.Cc1cccc(O)c1.Cc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol?
The InChIKey is LRCOJJODNNVVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/6C8H8O3.3C8H8O2.3C7H8O2.3C7H8O/c1-11-8(10)6-2-4-7(9)5-3-6;1-6(9)11-8-4-2-7(10)3-5-8;1-11-8(10)6-3-2-4-7(9)5-6;1-6(9)11-8-4-2-3-7(10)5-8;1-11-8(10)6-4-2-3-5-7(6)9;1-6(9)11-8-5-3-2-4-7(8)10;1-6(9)7-2-4-8(10)5-3-7;1-6(9)7-3-2-4-8(10)5-7;1-6(9)7-4-2-3-5-8(7)10;1-9-7-4-2-6(8)3-5-7;1-9-7-4-2-3-6(8)5-7;1-9-7-5-3-2-4-6(7)8;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h2-5,9H,1H3;2-5,10H,1H3;2-5,9H,1H3;2-5,10H,1H3;2-5,9H,1H3;2-5,10H,1H3;3*2-5,10H,1H3;3*2-5,8H,1H3;3*2-5,8H,1H3.
What are the key properties of (2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol?
(2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol has a molecular weight of 2018.18 g/mol, XLogP of 21.58, 12 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) acetate;(3-hydroxyphenyl) acetate;(4-hydroxyphenyl) acetate;1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;2-methoxyphenol;3-methoxyphenol;4-methoxyphenol;methyl 2-hydroxybenzoate;methyl 3-hydroxybenzoate;methyl 4-hydroxybenzoate;2-methylphenol;3-methylphenol;4-methylphenol is sourced from PubChem (CID 165024545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).