2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid

C18H16O4 — CID 6442912

IUPAC2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid
SMILESCO/C(=C\C(=O)c1ccccc1CC(=O)O)c1ccccc1
InChIInChI=1S/C18H16O4/c1-22-17(13-7-3-2-4-8-13)12-16(19)15-10-6-5-9-14(15)11-18(20)21/h2-10,12H,11H2,1H3,(H,20,21)/b17-12-
InChIKeyAKYMHAMMUKAMPC-ATVHPVEESA-N
MW296.32 g/mol
LogP3.18
Rot. Bonds6

About 2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid

2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid (PubChem CID 6442912) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid
PubChem CID6442912
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid
SMILESCO/C(=C\C(=O)c1ccccc1CC(=O)O)c1ccccc1
InChIInChI=1S/C18H16O4/c1-22-17(13-7-3-2-4-8-13)12-16(19)15-10-6-5-9-14(15)11-18(20)21/h2-10,12H,11H2,1H3,(H,20,21)/b17-12-
InChIKeyAKYMHAMMUKAMPC-ATVHPVEESA-N
XLogP3.18
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic 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

ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
1-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-one
CID 72743571
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
1-methoxybut-1-enylbenzene
CID 69305429
2-(3-methoxycarbonyl-2-sulfanylphenyl)acetic acid
CID 91874273
methyl 3-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate
CID 54337948
methyl 2-(3-oxo-3-phenylpropyl)benzoate
CID 122221957
5,7-dimethoxy-3-[(E)-3-methoxy-3-phenylprop-2-enoyl]chromen-2-one
CID 173186263
methyl 2-[[(Z)-1,4-dioxo-1,4-diphenylbut-2-en-2-yl]amino]benzoate
CID 13193830
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
2-[2-[ethyl(2-methoxyethyl)carbamoyl]phenyl]acetic acid
CID 114199797

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid (CID 6442912) is 2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid is CO/C(=C\C(=O)c1ccccc1CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid?
The InChIKey is AKYMHAMMUKAMPC-ATVHPVEESA-N. The full InChI is InChI=1S/C18H16O4/c1-22-17(13-7-3-2-4-8-13)12-16(19)15-10-6-5-9-14(15)11-18(20)21/h2-10,12H,11H2,1H3,(H,20,21)/b17-12-.
What are the key properties of 2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid?
2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid is sourced from PubChem (CID 6442912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).