(E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid

C16H20O2 — CID 66903010

IUPAC(E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid
SMILESC/C(=C\c1ccccc1C1CCCCC1)C(=O)O
InChIInChI=1S/C16H20O2/c1-12(16(17)18)11-14-9-5-6-10-15(14)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,17,18)/b12-11+
InChIKeyXFEASTFGPSNJLB-VAWYXSNFSA-N
MW244.33 g/mol
LogP4.22
Rot. Bonds3

About (E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid

(E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid (PubChem CID 66903010) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid
PubChem CID66903010
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid
SMILESC/C(=C\c1ccccc1C1CCCCC1)C(=O)O
InChIInChI=1S/C16H20O2/c1-12(16(17)18)11-14-9-5-6-10-15(14)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,17,18)/b12-11+
InChIKeyXFEASTFGPSNJLB-VAWYXSNFSA-N
XLogP4.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.22
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-cyclodecylbenzaldehyde
CID 142358507
2-cyano-3-(2-cyclopropylphenyl)prop-2-enoic acid
CID 79885899
3-(2-formylphenyl)-2-methylprop-2-enoic acid
CID 54486948
3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid
CID 66902963
(Z)-3-[2-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-2-methylprop-2-enoic acid
CID 67904955
(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid
CID 19101070
2-cyclohexylbenzonitrile;prop-2-enoic acid
CID 66660132
1-(2-cyclopentylphenyl)propan-2-one
CID 83832084
1-(2-cyclohexylphenyl)-1-hydroxypropan-2-one
CID 174983482
[2-[(E)-2-carboxyprop-1-enyl]phenyl]-methylazanium;ethane
CID 156805282
3-cyclohexyl-2-methylbenzaldehyde
CID 15107628

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid?
The IUPAC name of (E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid (CID 66903010) is (E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for (E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid is C/C(=C\c1ccccc1C1CCCCC1)C(=O)O.
What is the InChIKey of (E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid?
The InChIKey is XFEASTFGPSNJLB-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H20O2/c1-12(16(17)18)11-14-9-5-6-10-15(14)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,17,18)/b12-11+.
What are the key properties of (E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid?
(E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid has a molecular weight of 244.33 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 66903010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).