(E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid

C16H14O3 — CID 67513277

IUPAC(E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccc1Cc1ccccc1O
InChIInChI=1S/C16H14O3/c17-15-8-4-3-7-14(15)11-13-6-2-1-5-12(13)9-10-16(18)19/h1-10,17H,11H2,(H,18,19)/b10-9+
InChIKeyFVZWQWUJOONPOW-MDZDMXLPSA-N
MW254.29 g/mol
LogP3.08
Rot. Bonds4

About (E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid

(E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid (PubChem CID 67513277) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid
PubChem CID67513277
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name(E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccc1Cc1ccccc1O
InChIInChI=1S/C16H14O3/c17-15-8-4-3-7-14(15)11-13-6-2-1-5-12(13)9-10-16(18)19/h1-10,17H,11H2,(H,18,19)/b10-9+
InChIKeyFVZWQWUJOONPOW-MDZDMXLPSA-N
XLogP3.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2-benzylphenyl)prop-2-enoic acid
CID 22364524
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
3-[2-(bromomethyl)phenyl]prop-2-enoic acid
CID 54011364
(E)-3-[2-(3-oxopropyl)phenyl]prop-2-enoic acid
CID 166641973
2-[(2-hydroxyphenyl)methyl]phenol;bis(prop-2-enoic acid)
CID 159187448
(Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid
CID 177483326
(E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-enoic acid
CID 82239064
3-[2-[(3,4-dichlorophenyl)methyl]phenyl]prop-2-enoic acid
CID 70229565
(E)-3-[2-(diethylaminomethyl)phenyl]prop-2-enoic acid
CID 94233008
3-[2-(2-carboxyethenyl)-3-hydroxyphenyl]prop-2-enoic acid
CID 54408784
(E)-3-[2-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]phenyl]prop-2-enoic acid
CID 114231866

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid (CID 67513277) is (E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccccc1Cc1ccccc1O.
What is the InChIKey of (E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid?
The InChIKey is FVZWQWUJOONPOW-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H14O3/c17-15-8-4-3-7-14(15)11-13-6-2-1-5-12(13)9-10-16(18)19/h1-10,17H,11H2,(H,18,19)/b10-9+.
What are the key properties of (E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid?
(E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid has a molecular weight of 254.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 67513277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).