1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one

C17H23ClO3 — CID 68813134

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one
SMILESCOc1cc(C(C(C)=O)C2CCCCC2)c(OC)cc1Cl
InChIInChI=1S/C17H23ClO3/c1-11(19)17(12-7-5-4-6-8-12)13-9-16(21-3)14(18)10-15(13)20-2/h9-10,12,17H,4-8H2,1-3H3
InChIKeyQYGAJNGEWYFTLK-UHFFFAOYSA-N
MW310.82 g/mol
LogP4.61
Rot. Bonds5

About 1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one

1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one (PubChem CID 68813134) has the molecular formula C17H23ClO3 and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one
PubChem CID68813134
Molecular FormulaC17H23ClO3
Molecular Weight310.82 g/mol
Exact Mass310.13
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one
SMILESCOc1cc(C(C(C)=O)C2CCCCC2)c(OC)cc1Cl
InChIInChI=1S/C17H23ClO3/c1-11(19)17(12-7-5-4-6-8-12)13-9-16(21-3)14(18)10-15(13)20-2/h9-10,12,17H,4-8H2,1-3H3
InChIKeyQYGAJNGEWYFTLK-UHFFFAOYSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 82485629
2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid
CID 82482100
cycloheptyl-(2,4,5-trimethoxyphenyl)methanol
CID 82932669
N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide
CID 108530972
2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid
CID 82487741
2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine
CID 82304977
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide
CID 113110644
2-(4-chloro-3-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 81021525
2-[acetyl(cyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113159589
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108914085
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one (CID 68813134) is 1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one is COc1cc(C(C(C)=O)C2CCCCC2)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one?
The InChIKey is QYGAJNGEWYFTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO3/c1-11(19)17(12-7-5-4-6-8-12)13-9-16(21-3)14(18)10-15(13)20-2/h9-10,12,17H,4-8H2,1-3H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one?
1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one has a molecular weight of 310.82 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one is sourced from PubChem (CID 68813134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).