(Z)-2,3-diphenylpent-2-enoic acid

C17H16O2 — CID 67236453

IUPAC(Z)-2,3-diphenylpent-2-enoic acid
SMILESCC/C(=C(/C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-15(13-9-5-3-6-10-13)16(17(18)19)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,19)/b16-15-
InChIKeyDTVXJNQPYISUSX-NXVVXOECSA-N
MW252.31 g/mol
LogP4.09
Rot. Bonds4

About (Z)-2,3-diphenylpent-2-enoic acid

(Z)-2,3-diphenylpent-2-enoic acid (PubChem CID 67236453) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (Z)-2,3-diphenylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-2,3-diphenylpent-2-enoic acid
PubChem CID67236453
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(Z)-2,3-diphenylpent-2-enoic acid
SMILESCC/C(=C(/C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-15(13-9-5-3-6-10-13)16(17(18)19)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,19)/b16-15-
InChIKeyDTVXJNQPYISUSX-NXVVXOECSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(E)-2-ethyl-3-phenylbut-2-enedioic acid
CID 22078115
2-acetyl-3-phenylpent-2-enoic acid
CID 150438559
(Z)-2-methyl-3-phenylbut-2-enedioic acid
CID 66610285
2-methyl-3-phenylbut-2-enedioic acid
CID 54439323
(E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid
CID 68731850
3-cyano-2-phenylpent-2-enoic acid
CID 174922767
3,4-dihydroxy-2,5-diphenylhexa-2,4-dienedioic acid
CID 162948831
(E)-2-methyl-3-phenylpent-2-enamide
CID 66881626
3,3-diethoxy-2-phenylprop-2-enoic acid
CID 129094256
[(Z)-4-methylhex-3-en-3-yl]benzene
CID 142361639
3-methoxy-2,3-diphenylprop-2-enoic acid
CID 69030930
(Z)-2-chloro-3-phenylpent-2-enamide
CID 22020272

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-diphenylpent-2-enoic acid?
The IUPAC name of (Z)-2,3-diphenylpent-2-enoic acid (CID 67236453) is (Z)-2,3-diphenylpent-2-enoic acid.
What is the SMILES notation for (Z)-2,3-diphenylpent-2-enoic acid?
The canonical SMILES for (Z)-2,3-diphenylpent-2-enoic acid is CC/C(=C(/C(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2,3-diphenylpent-2-enoic acid?
The InChIKey is DTVXJNQPYISUSX-NXVVXOECSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-15(13-9-5-3-6-10-13)16(17(18)19)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,19)/b16-15-.
What are the key properties of (Z)-2,3-diphenylpent-2-enoic acid?
(Z)-2,3-diphenylpent-2-enoic acid has a molecular weight of 252.31 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-diphenylpent-2-enoic acid is sourced from PubChem (CID 67236453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).