3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate

C16H18O5 — CID 70293385

IUPAC3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1.OCCc1cccc(O)c1
InChIInChI=1S/C8H8O3.C8H10O2/c1-11-8(10)6-2-4-7(9)5-3-6;9-5-4-7-2-1-3-8(10)6-7/h2-5,9H,1H3;1-3,6,9-10H,4-5H2
InChIKeyGKSKPQCDBPOBER-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.11
Rot. Bonds3

About 3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate

3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate (PubChem CID 70293385) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate.

Molecular Properties

Compound Name3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate
PubChem CID70293385
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Name3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1.OCCc1cccc(O)c1
InChIInChI=1S/C8H8O3.C8H10O2/c1-11-8(10)6-2-4-7(9)5-3-6;9-5-4-7-2-1-3-8(10)6-7/h2-5,9H,1H3;1-3,6,9-10H,4-5H2
InChIKeyGKSKPQCDBPOBER-UHFFFAOYSA-N
XLogP2.11
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-hydroxybenzoate;3-methylphenol
CID 174792609
methyl 4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzoate
CID 59421998
CID 159177716
CID 159177716
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
methyl 3-(4-hydroxybutyl)benzoate
CID 25172820
3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol
CID 161002126
methyl 3-[5-(4-hydroxyphenyl)-3,3-dimethyl-5-oxopentyl]benzoate
CID 14995046
methyl 4-(3-hydroxyphenyl)butanoate
CID 54142007
butane-1,3-diol;methyl 4-hydroxybenzoate
CID 160570967
methyl 3-[6-[3-(3-hydroxypropyl)phenyl]hexyl]benzoate
CID 10043723
methyl 3-propylbenzoate
CID 12861009
4-hydroxybenzoic acid;methyl 4-hydroxybenzoate
CID 67377011

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate?
The IUPAC name of 3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate (CID 70293385) is 3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate.
What is the SMILES notation for 3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate?
The canonical SMILES for 3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate is COC(=O)c1ccc(O)cc1.OCCc1cccc(O)c1.
What is the InChIKey of 3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate?
The InChIKey is GKSKPQCDBPOBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C8H10O2/c1-11-8(10)6-2-4-7(9)5-3-6;9-5-4-7-2-1-3-8(10)6-7/h2-5,9H,1H3;1-3,6,9-10H,4-5H2.
What are the key properties of 3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate?
3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate has a molecular weight of 290.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate is sourced from PubChem (CID 70293385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).