1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone

C15H18O3 — CID 175084066

IUPAC1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)C2(O)CCCCC2)cc1
InChIInChI=1S/C15H18O3/c1-11(16)12-5-7-13(8-6-12)14(17)15(18)9-3-2-4-10-15/h5-8,18H,2-4,9-10H2,1H3
InChIKeyCDVGPXKRMGEHRU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.77
Rot. Bonds3

About 1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone

1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone (PubChem CID 175084066) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone
PubChem CID175084066
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)C2(O)CCCCC2)cc1
InChIInChI=1S/C15H18O3/c1-11(16)12-5-7-13(8-6-12)14(17)15(18)9-3-2-4-10-15/h5-8,18H,2-4,9-10H2,1H3
InChIKeyCDVGPXKRMGEHRU-UHFFFAOYSA-N
XLogP2.77
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
CID 20523462
hydrazine;(1-hydroxycyclohexyl)-phenylmethanone
CID 161340998
1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]prop-2-en-1-one
CID 59017569
(3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447660
1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
CID 141100005
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
furan-3-yl-(1-hydroxycycloheptyl)methanone
CID 103450360
(1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone
CID 103450168
[4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone
CID 107288374
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone
CID 84726990
(1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone
CID 155168101

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone?
The IUPAC name of 1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone (CID 175084066) is 1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone is CC(=O)c1ccc(C(=O)C2(O)CCCCC2)cc1.
What is the InChIKey of 1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone?
The InChIKey is CDVGPXKRMGEHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-11(16)12-5-7-13(8-6-12)14(17)15(18)9-3-2-4-10-15/h5-8,18H,2-4,9-10H2,1H3.
What are the key properties of 1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone?
1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone has a molecular weight of 246.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone is sourced from PubChem (CID 175084066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).