(Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid

C21H16O4 — CID 83951696

IUPAC(Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1cccc(Oc2ccccc2)c1)c1cccc(O)c1
InChIInChI=1S/C21H16O4/c22-17-8-5-7-16(14-17)20(21(23)24)13-15-6-4-11-19(12-15)25-18-9-2-1-3-10-18/h1-14,22H,(H,23,24)/b20-13-
InChIKeyODVYFJQGRSRSKB-MOSHPQCFSA-N
MW332.36 g/mol
LogP4.81
Rot. Bonds5

About (Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid

(Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid (PubChem CID 83951696) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid
PubChem CID83951696
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name(Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1cccc(Oc2ccccc2)c1)c1cccc(O)c1
InChIInChI=1S/C21H16O4/c22-17-8-5-7-16(14-17)20(21(23)24)13-15-6-4-11-19(12-15)25-18-9-2-1-3-10-18/h1-14,22H,(H,23,24)/b20-13-
InChIKeyODVYFJQGRSRSKB-MOSHPQCFSA-N
XLogP4.81
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(3-fluoro-4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid
CID 112720050
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(Z)-3-(3-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239542
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
(Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83950599
(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83950818
(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83950730
(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
CID 22682893
(Z)-3-(3,5-dichloro-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83953085
(E)-2-benzoyl-3-(3-phenoxyphenyl)prop-2-enenitrile
CID 110191204
(E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid
CID 102461525

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid (CID 83951696) is (Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid is O=C(O)/C(=C\c1cccc(Oc2ccccc2)c1)c1cccc(O)c1.
What is the InChIKey of (Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid?
The InChIKey is ODVYFJQGRSRSKB-MOSHPQCFSA-N. The full InChI is InChI=1S/C21H16O4/c22-17-8-5-7-16(14-17)20(21(23)24)13-15-6-4-11-19(12-15)25-18-9-2-1-3-10-18/h1-14,22H,(H,23,24)/b20-13-.
What are the key properties of (Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid?
(Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid has a molecular weight of 332.36 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-hydroxyphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83951696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).