(Z)-2-cyclohexyl-3-phenylprop-2-enoic acid

C15H18O2 — CID 15445735

IUPAC(Z)-2-cyclohexyl-3-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccccc1)C1CCCCC1
InChIInChI=1S/C15H18O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,16,17)/b14-11-
InChIKeyUOFPJJFOIKKKRT-KAMYIIQDSA-N
MW230.31 g/mol
LogP3.73
Rot. Bonds3

About (Z)-2-cyclohexyl-3-phenylprop-2-enoic acid

(Z)-2-cyclohexyl-3-phenylprop-2-enoic acid (PubChem CID 15445735) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (Z)-2-cyclohexyl-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-cyclohexyl-3-phenylprop-2-enoic acid
PubChem CID15445735
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(Z)-2-cyclohexyl-3-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccccc1)C1CCCCC1
InChIInChI=1S/C15H18O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,16,17)/b14-11-
InChIKeyUOFPJJFOIKKKRT-KAMYIIQDSA-N
XLogP3.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentanecarbonyl)-3-phenylprop-2-enoic acid
CID 144576861
2-cyclohexyl-3-phenylprop-2-enal
CID 85353011
2-benzylidene-1-cyclohexylbutane-1,3-dione
CID 134963614
2-(cyclohexylmethyl)-3-phenylprop-2-enoic acid
CID 68815602
2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid
CID 54385999
3-phenyl-2-piperidin-1-ylprop-2-enoic acid
CID 141448411
(Z)-1-cyclopentyl-N,N-dimethyl-2-phenylethenamine
CID 134993841
(3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid
CID 92659285
(2E,4Z)-4-chloro-1-cyclopropyl-5-phenylpenta-2,4-dien-1-one
CID 19558961
N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 5060325
(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 6260559
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyclohexyl-3-phenylprop-2-enoic acid?
The IUPAC name of (Z)-2-cyclohexyl-3-phenylprop-2-enoic acid (CID 15445735) is (Z)-2-cyclohexyl-3-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-cyclohexyl-3-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-2-cyclohexyl-3-phenylprop-2-enoic acid is O=C(O)/C(=C\c1ccccc1)C1CCCCC1.
What is the InChIKey of (Z)-2-cyclohexyl-3-phenylprop-2-enoic acid?
The InChIKey is UOFPJJFOIKKKRT-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H18O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,16,17)/b14-11-.
What are the key properties of (Z)-2-cyclohexyl-3-phenylprop-2-enoic acid?
(Z)-2-cyclohexyl-3-phenylprop-2-enoic acid has a molecular weight of 230.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyclohexyl-3-phenylprop-2-enoic acid is sourced from PubChem (CID 15445735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).