3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one

C18H26O2 — CID 71415199

IUPAC3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one
SMILESCC(C)(C(=O)COCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H26O2/c1-18(2,16-11-7-4-8-12-16)17(19)14-20-13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3
InChIKeyOAXCXQPFXGFQRK-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.38
Rot. Bonds6

About 3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one

3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one (PubChem CID 71415199) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one.

Molecular Properties

Compound Name3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one
PubChem CID71415199
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one
SMILESCC(C)(C(=O)COCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H26O2/c1-18(2,16-11-7-4-8-12-16)17(19)14-20-13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3
InChIKeyOAXCXQPFXGFQRK-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-3-oxo-4-phenylmethoxybutanoic acid
CID 175175859
3-O-benzyl 1-O-methyl 2,2-dicyclohexylpropanedioate
CID 175180069
methyl 2-(benzylamino)-2-cyclohexylpropanoate
CID 63320778
N-cyclopentyloxy-2-phenylmethoxyacetamide
CID 83202202
benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate
CID 124845856
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
5,5-dimethyl-1-phenylmethoxyhexan-2-one
CID 131052640
2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 18417096
methyl 2-cyclohexyl-2-(dibenzylamino)propanoate
CID 174673383
2-(benzylamino)-2-cyclohexylpropanoic acid
CID 63320736
2-cyclohexyl-2-phenylmethoxypropanenitrile
CID 154277038
[(2R)-2-cyclohexyl-1-oxo-1-phenylmethoxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]azanium
CID 57082788

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one?
The IUPAC name of 3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one (CID 71415199) is 3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one.
What is the SMILES notation for 3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one?
The canonical SMILES for 3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one is CC(C)(C(=O)COCc1ccccc1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one?
The InChIKey is OAXCXQPFXGFQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-18(2,16-11-7-4-8-12-16)17(19)14-20-13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3.
What are the key properties of 3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one?
3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one has a molecular weight of 274.40 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one is sourced from PubChem (CID 71415199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).