2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol

C115H106O17 — CID 160808205

IUPAC2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol
SMILESCc1c(O)ccc2ccccc12.Cc1cc(O)c2ccccc2c1O.Cc1cc(O)cc2ccccc12.Cc1cc2cc(O)ccc2cc1O.Cc1cc2ccccc2cc1O.Cc1ccc(O)c(C(=O)O)c1.Cc1ccc(O)cc1C(=O)O.Cc1ccc2cc(O)ccc2c1.Cc1ccc2ccc(O)cc2c1.Cc1ccc2cccc(O)c2c1.Cc1cccc2cc(O)ccc12
InChIInChI=1S/2C11H10O2.7C11H10O.2C8H8O3/c1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-5-6-9-3-2-4-11(12)10(9)7-8;1-8-3-2-4-9-7-10(12)5-6-11(8)9;1-8-6-10(12)7-9-4-2-3-5-11(8)9;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-10-5-3-2-4-9(10)6-7-11(8)12;1-5-2-3-6(9)4-7(5)8(10)11;1-5-2-3-7(9)6(4-5)8(10)11/h2*2-6,12-13H,1H3;7*2-7,12H,1H3;2*2-4,9H,1H3,(H,10,11)
InChIKeySDYXQRYBQXWMDF-UHFFFAOYSA-N
MW1760.10 g/mol
LogP27.89
Rot. Bonds2

About 2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol

2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol (PubChem CID 160808205) has the molecular formula C115H106O17 and a molecular weight of 1760.10 g/mol. Its IUPAC name is 2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol.

Molecular Properties

Compound Name2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol
PubChem CID160808205
Molecular FormulaC115H106O17
Molecular Weight1760.10 g/mol
Exact Mass1758.74
IUPAC Name2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol
SMILESCc1c(O)ccc2ccccc12.Cc1cc(O)c2ccccc2c1O.Cc1cc(O)cc2ccccc12.Cc1cc2cc(O)ccc2cc1O.Cc1cc2ccccc2cc1O.Cc1ccc(O)c(C(=O)O)c1.Cc1ccc(O)cc1C(=O)O.Cc1ccc2cc(O)ccc2c1.Cc1ccc2ccc(O)cc2c1.Cc1ccc2cccc(O)c2c1.Cc1cccc2cc(O)ccc12
InChIInChI=1S/2C11H10O2.7C11H10O.2C8H8O3/c1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-5-6-9-3-2-4-11(12)10(9)7-8;1-8-3-2-4-9-7-10(12)5-6-11(8)9;1-8-6-10(12)7-9-4-2-3-5-11(8)9;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-10-5-3-2-4-9(10)6-7-11(8)12;1-5-2-3-6(9)4-7(5)8(10)11;1-5-2-3-7(9)6(4-5)8(10)11/h2*2-6,12-13H,1H3;7*2-7,12H,1H3;2*2-4,9H,1H3,(H,10,11)
InChIKeySDYXQRYBQXWMDF-UHFFFAOYSA-N
XLogP27.89
TPSA337.59 Ų
H-Bond Donors15
H-Bond Acceptors15
Rotatable Bonds2
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001760.10
LogP ≤ 527.89
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol with MolForge

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Related Compounds

1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
CID 157418786
5-methylnaphthalen-2-ol;6-methylnaphthalen-1-ol
CID 90474539
2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene
CID 158097915
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
2,6-dimethylanthracene;9,10-dimethylanthracene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;1,6-dimethylpyrene;4,9-dimethylpyrene
CID 159763691
6-methylnaphthalene-1-carboxylic acid;6-methylnaphthalene-2-carboxylic acid;7-methylnaphthalene-2-carboxylic acid
CID 159162077
1-methylnaphthalene;2-methylnaphthalene;1-methylphenanthrene;2-methylphenanthrene;4-methylphenanthrene;9-methylphenanthrene;toluene
CID 161242482
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,3-xylene;1,4-xylene
CID 162002559
acetic acid;2-methylnaphthalene-1,4-diol
CID 57358360
bis(naphthalene-2,7-diol);naphthalen-1-ol
CID 174973186
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
tetrakis(carbon dioxide);naphthalene-1,2-diol;naphthalene-1,3-diol;naphthalene-1,4-diol;naphthalene-2,6-diol
CID 165025673

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol?
The IUPAC name of 2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol (CID 160808205) is 2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol.
What is the SMILES notation for 2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol?
The canonical SMILES for 2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol is Cc1c(O)ccc2ccccc12.Cc1cc(O)c2ccccc2c1O.Cc1cc(O)cc2ccccc12.Cc1cc2cc(O)ccc2cc1O.Cc1cc2ccccc2cc1O.Cc1ccc(O)c(C(=O)O)c1.Cc1ccc(O)cc1C(=O)O.Cc1ccc2cc(O)ccc2c1.Cc1ccc2ccc(O)cc2c1.Cc1ccc2cccc(O)c2c1.Cc1cccc2cc(O)ccc12.
What is the InChIKey of 2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol?
The InChIKey is SDYXQRYBQXWMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10O2.7C11H10O.2C8H8O3/c1-7-4-9-5-10(12)3-2-8(9)6-11(7)13;1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-5-6-9-3-2-4-11(12)10(9)7-8;1-8-3-2-4-9-7-10(12)5-6-11(8)9;1-8-6-10(12)7-9-4-2-3-5-11(8)9;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-10-5-3-2-4-9(10)6-7-11(8)12;1-5-2-3-6(9)4-7(5)8(10)11;1-5-2-3-7(9)6(4-5)8(10)11/h2*2-6,12-13H,1H3;7*2-7,12H,1H3;2*2-4,9H,1H3,(H,10,11).
What are the key properties of 2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol?
2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol has a molecular weight of 1760.10 g/mol, XLogP of 27.89, 2 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methylbenzoic acid;5-hydroxy-2-methylbenzoic acid;2-methylnaphthalene-1,4-diol;3-methylnaphthalene-2,6-diol;1-methylnaphthalen-2-ol;3-methylnaphthalen-2-ol;4-methylnaphthalen-2-ol;5-methylnaphthalen-2-ol;6-methylnaphthalen-2-ol;7-methylnaphthalen-1-ol;7-methylnaphthalen-2-ol is sourced from PubChem (CID 160808205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).