4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid

C23H18O5 — CID 10714433

IUPAC4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid
SMILESO=C(O)c1ccc(O)c(C(=O)/C=C/c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C23H18O5/c24-20(19-14-18(23(26)27)11-13-21(19)25)12-10-17-8-4-5-9-22(17)28-15-16-6-2-1-3-7-16/h1-14,25H,15H2,(H,26,27)/b12-10+
InChIKeyMFAYZDRDBRIRME-ZRDIBKRKSA-N
MW374.39 g/mol
LogP4.57
Rot. Bonds7

About 4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid

4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid (PubChem CID 10714433) has the molecular formula C23H18O5 and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid
PubChem CID10714433
Molecular FormulaC23H18O5
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid
SMILESO=C(O)c1ccc(O)c(C(=O)/C=C/c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C23H18O5/c24-20(19-14-18(23(26)27)11-13-21(19)25)12-10-17-8-4-5-9-22(17)28-15-16-6-2-1-3-7-16/h1-14,25H,15H2,(H,26,27)/b12-10+
InChIKeyMFAYZDRDBRIRME-ZRDIBKRKSA-N
XLogP4.57
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic 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

4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid
CID 54348425
3-bromo-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 18973994
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887380
(E)-1-(2,5-dihydroxyphenyl)-3-[2-(hydroxymethoxy)phenyl]prop-2-en-1-one
CID 142661626
1,3-bis(4-hydroxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 139808020
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887379
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
(E)-1-(2-hydroxyphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887381
4-hydroxy-6-methyl-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]pyran-2-one
CID 135708428
3-(2-phenylethenyl)-4-phenylmethoxybenzoic acid
CID 57066930
1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one
CID 175537344
methyl 4-[[2-[(E)-3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 7946195

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid?
The IUPAC name of 4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid (CID 10714433) is 4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid.
What is the SMILES notation for 4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid?
The canonical SMILES for 4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid is O=C(O)c1ccc(O)c(C(=O)/C=C/c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid?
The InChIKey is MFAYZDRDBRIRME-ZRDIBKRKSA-N. The full InChI is InChI=1S/C23H18O5/c24-20(19-14-18(23(26)27)11-13-21(19)25)12-10-17-8-4-5-9-22(17)28-15-16-6-2-1-3-7-16/h1-14,25H,15H2,(H,26,27)/b12-10+.
What are the key properties of 4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid?
4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid has a molecular weight of 374.39 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid is sourced from PubChem (CID 10714433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).