1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one

C22H32O2 — CID 70445054

IUPAC1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(C2(C(=O)CCCC)CCCCC2)cc1
InChIInChI=1S/C22H32O2/c1-3-5-10-20(23)18-12-14-19(15-13-18)22(16-8-7-9-17-22)21(24)11-6-4-2/h12-15H,3-11,16-17H2,1-2H3
InChIKeyMXZDUFZTLZUUIO-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.02
Rot. Bonds9

About 1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one

1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one (PubChem CID 70445054) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one
PubChem CID70445054
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(C2(C(=O)CCCC)CCCCC2)cc1
InChIInChI=1S/C22H32O2/c1-3-5-10-20(23)18-12-14-19(15-13-18)22(16-8-7-9-17-22)21(24)11-6-4-2/h12-15H,3-11,16-17H2,1-2H3
InChIKeyMXZDUFZTLZUUIO-UHFFFAOYSA-N
XLogP6.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;1-phenylpentan-1-one
CID 143728184
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
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CID 10989623
1-(4-cyclohexylphenyl)octan-1-one
CID 63491113
1-[1-(4-butylphenyl)cyclopropyl]propan-1-one
CID 174432527
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
1-[4-[2,3,4,5,6-pentakis(4-dodecanoylphenyl)phenyl]phenyl]dodecan-1-one
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1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557929

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one?
The IUPAC name of 1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one (CID 70445054) is 1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one.
What is the SMILES notation for 1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one?
The canonical SMILES for 1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one is CCCCC(=O)c1ccc(C2(C(=O)CCCC)CCCCC2)cc1.
What is the InChIKey of 1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one?
The InChIKey is MXZDUFZTLZUUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2/c1-3-5-10-20(23)18-12-14-19(15-13-18)22(16-8-7-9-17-22)21(24)11-6-4-2/h12-15H,3-11,16-17H2,1-2H3.
What are the key properties of 1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one?
1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one has a molecular weight of 328.50 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one is sourced from PubChem (CID 70445054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).