1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one

C25H30O2 — CID 89049681

IUPAC1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one
SMILESC=CC1CCC(c2ccc(-c3ccc(C(=O)CCCC)c(O)c3)cc2)CC1
InChIInChI=1S/C25H30O2/c1-3-5-6-24(26)23-16-15-22(17-25(23)27)21-13-11-20(12-14-21)19-9-7-18(4-2)8-10-19/h4,11-19,27H,2-3,5-10H2,1H3
InChIKeyBHFFABJKMWLGMT-UHFFFAOYSA-N
MW362.51 g/mol
LogP6.89
Rot. Bonds7

About 1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one

1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one (PubChem CID 89049681) has the molecular formula C25H30O2 and a molecular weight of 362.51 g/mol. Its IUPAC name is 1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one
PubChem CID89049681
Molecular FormulaC25H30O2
Molecular Weight362.51 g/mol
Exact Mass362.22
IUPAC Name1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one
SMILESC=CC1CCC(c2ccc(-c3ccc(C(=O)CCCC)c(O)c3)cc2)CC1
InChIInChI=1S/C25H30O2/c1-3-5-6-24(26)23-16-15-22(17-25(23)27)21-13-11-20(12-14-21)19-9-7-18(4-2)8-10-19/h4,11-19,27H,2-3,5-10H2,1H3
InChIKeyBHFFABJKMWLGMT-UHFFFAOYSA-N
XLogP6.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-4-(4-methylcyclohexyl)phenyl]propan-1-one
CID 70870218
1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one
CID 101058020
1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone
CID 142331736
1-(4-fluoro-2-hydroxyphenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one
CID 70593850
6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853341
1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene
CID 145041880
1-(5-dodecanoyl-2,4-dihydroxyphenyl)dodecan-1-one
CID 44588789
1-(2-amino-5-phenylphenyl)pentan-1-one
CID 83988023
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 145309431
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
1-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 20621738
1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one
CID 91356549

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one?
The IUPAC name of 1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one (CID 89049681) is 1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one.
What is the SMILES notation for 1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one?
The canonical SMILES for 1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one is C=CC1CCC(c2ccc(-c3ccc(C(=O)CCCC)c(O)c3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one?
The InChIKey is BHFFABJKMWLGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O2/c1-3-5-6-24(26)23-16-15-22(17-25(23)27)21-13-11-20(12-14-21)19-9-7-18(4-2)8-10-19/h4,11-19,27H,2-3,5-10H2,1H3.
What are the key properties of 1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one?
1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one has a molecular weight of 362.51 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-hydroxyphenyl]pentan-1-one is sourced from PubChem (CID 89049681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).