2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid

C15H14O3 — CID 1392506

IUPAC2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cccc(CO)c2)c1
InChIInChI=1S/C15H14O3/c16-10-12-4-2-6-14(8-12)13-5-1-3-11(7-13)9-15(17)18/h1-8,16H,9-10H2,(H,17,18)
InChIKeyHPEFIPZVHRAPHM-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.47
Rot. Bonds4

About 2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid

2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid (PubChem CID 1392506) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
PubChem CID1392506
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cccc(CO)c2)c1
InChIInChI=1S/C15H14O3/c16-10-12-4-2-6-14(8-12)13-5-1-3-11(7-13)9-15(17)18/h1-8,16H,9-10H2,(H,17,18)
InChIKeyHPEFIPZVHRAPHM-UHFFFAOYSA-N
XLogP2.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
CID 1392718
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118342919
4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid
CID 167952016
2-[5-[5-[4-(carboxymethyl)-5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]thiophen-2-yl]-2-[3-(hydroxymethyl)phenyl]thiophen-3-yl]acetic acid
CID 71231168
2-[5-[3-(hydroxymethyl)phenyl]-1,3-oxazol-4-yl]acetic acid
CID 174643664
2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
CID 155509609
2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid
CID 138678237
2-(3,5-diphenylphenyl)acetic acid
CID 20542723
2-[3-[4-(1,2-diaminoethyl)phenyl]phenyl]acetic acid
CID 170894464
2-(3-benzylphenyl)acetic acid
CID 22590987

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid (CID 1392506) is 2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2cccc(CO)c2)c1.
What is the InChIKey of 2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid?
The InChIKey is HPEFIPZVHRAPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-10-12-4-2-6-14(8-12)13-5-1-3-11(7-13)9-15(17)18/h1-8,16H,9-10H2,(H,17,18).
What are the key properties of 2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid?
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid has a molecular weight of 242.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 1392506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).