3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid

C18H24O2 — CID 4201535

IUPAC3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
SMILESCCCC1CCC(c2ccc(C=CC(=O)O)cc2)CC1
InChIInChI=1S/C18H24O2/c1-2-3-14-4-9-16(10-5-14)17-11-6-15(7-12-17)8-13-18(19)20/h6-8,11-14,16H,2-5,9-10H2,1H3,(H,19,20)
InChIKeyNVIYVQUKBBOUKC-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.86
Rot. Bonds5

About 3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid

3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid (PubChem CID 4201535) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
PubChem CID4201535
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
SMILESCCCC1CCC(c2ccc(C=CC(=O)O)cc2)CC1
InChIInChI=1S/C18H24O2/c1-2-3-14-4-9-16(10-5-14)17-11-6-15(7-12-17)8-13-18(19)20/h6-8,11-14,16H,2-5,9-10H2,1H3,(H,19,20)
InChIKeyNVIYVQUKBBOUKC-UHFFFAOYSA-N
XLogP4.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.86
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-[(E)-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoyl]oxyethyl 2,2-dimethylpropanoate
CID 137415709
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926
(E)-3-[4-[4-(4-trichlorosilylbutyl)cyclohexyl]phenyl]prop-2-enoic acid
CID 70126712
1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
CID 67590386
1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59247481
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991361
pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane
CID 25197320
carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene
CID 70401958
1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 67699851
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
(4-propylcyclohexyl)benzene
CID 155887669

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid (CID 4201535) is 3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid is CCCC1CCC(c2ccc(C=CC(=O)O)cc2)CC1.
What is the InChIKey of 3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid?
The InChIKey is NVIYVQUKBBOUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-2-3-14-4-9-16(10-5-14)17-11-6-15(7-12-17)8-13-18(19)20/h6-8,11-14,16H,2-5,9-10H2,1H3,(H,19,20).
What are the key properties of 3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid?
3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid has a molecular weight of 272.39 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 4201535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).