4-(4-phenylmethoxycyclohexyl)butan-2-one

C17H24O2 — CID 67412875

IUPAC4-(4-phenylmethoxycyclohexyl)butan-2-one
SMILESCC(=O)CCC1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C17H24O2/c1-14(18)7-8-15-9-11-17(12-10-15)19-13-16-5-3-2-4-6-16/h2-6,15,17H,7-13H2,1H3
InChIKeyCZDUMOYPHDUWTJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.13
Rot. Bonds6

About 4-(4-phenylmethoxycyclohexyl)butan-2-one

4-(4-phenylmethoxycyclohexyl)butan-2-one (PubChem CID 67412875) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(4-phenylmethoxycyclohexyl)butan-2-one.

Molecular Properties

Compound Name4-(4-phenylmethoxycyclohexyl)butan-2-one
PubChem CID67412875
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4-(4-phenylmethoxycyclohexyl)butan-2-one
SMILESCC(=O)CCC1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C17H24O2/c1-14(18)7-8-15-9-11-17(12-10-15)19-13-16-5-3-2-4-6-16/h2-6,15,17H,7-13H2,1H3
InChIKeyCZDUMOYPHDUWTJ-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propylcyclohexyl)oxymethylbenzene
CID 147199890
1-(4-phenylmethoxycyclohexyl)butan-2-one
CID 91074255
3-(3-phenylmethoxycyclohexyl)propanoic acid
CID 115049002
N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride
CID 171784857
(4-phenylmethoxycyclohexyl) 4-methylcyclohexane-1-carboxylate
CID 144529311
N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide
CID 86642923
azane;cyclopentyloxymethylbenzene
CID 69411306
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
4-[(4-methylcyclohexyl)oxymethyl]benzoic acid
CID 43185253
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
CID 69471607
benzyl (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-oxobutyl)-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate
CID 101491879
N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide
CID 138474170

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxycyclohexyl)butan-2-one?
The IUPAC name of 4-(4-phenylmethoxycyclohexyl)butan-2-one (CID 67412875) is 4-(4-phenylmethoxycyclohexyl)butan-2-one.
What is the SMILES notation for 4-(4-phenylmethoxycyclohexyl)butan-2-one?
The canonical SMILES for 4-(4-phenylmethoxycyclohexyl)butan-2-one is CC(=O)CCC1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 4-(4-phenylmethoxycyclohexyl)butan-2-one?
The InChIKey is CZDUMOYPHDUWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-14(18)7-8-15-9-11-17(12-10-15)19-13-16-5-3-2-4-6-16/h2-6,15,17H,7-13H2,1H3.
What are the key properties of 4-(4-phenylmethoxycyclohexyl)butan-2-one?
4-(4-phenylmethoxycyclohexyl)butan-2-one has a molecular weight of 260.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxycyclohexyl)butan-2-one is sourced from PubChem (CID 67412875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).