1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one

C16H22O2 — CID 61077701

IUPAC1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)CC2CCCCC2)c1
InChIInChI=1S/C16H22O2/c1-18-16-9-5-8-14(12-16)11-15(17)10-13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3
InChIKeyDDGQVWHNLSHQIO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.78
Rot. Bonds5

About 1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one

1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one (PubChem CID 61077701) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
PubChem CID61077701
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)CC2CCCCC2)c1
InChIInChI=1S/C16H22O2/c1-18-16-9-5-8-14(12-16)11-15(17)10-13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3
InChIKeyDDGQVWHNLSHQIO-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
1-cycloheptyl-3-naphthalen-2-ylpropan-2-one
CID 114458055
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555
1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one
CID 116614341
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
CID 119619150
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one
CID 113325067
(2S)-3-cyclohexyl-2-[(3-methoxyphenyl)methoxycarbonylamino]propanoic acid
CID 23383098
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one (CID 61077701) is 1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one is COc1cccc(CC(=O)CC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one?
The InChIKey is DDGQVWHNLSHQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-18-16-9-5-8-14(12-16)11-15(17)10-13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3.
What are the key properties of 1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one?
1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 61077701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).