2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one

C18H26O3 — CID 64764056

IUPAC2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one
SMILESCOc1ccc(OC)c(C(C)(C)C2CCC(C)CC2=O)c1
InChIInChI=1S/C18H26O3/c1-12-6-8-14(16(19)10-12)18(2,3)15-11-13(20-4)7-9-17(15)21-5/h7,9,11-12,14H,6,8,10H2,1-5H3
InChIKeyFPDYAOMBGPBOPQ-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.99
Rot. Bonds4

About 2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one

2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one (PubChem CID 64764056) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one
PubChem CID64764056
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one
SMILESCOc1ccc(OC)c(C(C)(C)C2CCC(C)CC2=O)c1
InChIInChI=1S/C18H26O3/c1-12-6-8-14(16(19)10-12)18(2,3)15-11-13(20-4)7-9-17(15)21-5/h7,9,11-12,14H,6,8,10H2,1-5H3
InChIKeyFPDYAOMBGPBOPQ-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,6-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one
CID 116811049
2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one
CID 64764634
1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 82239533
2-(2,5-dimethoxyphenyl)-2-methylpropanal
CID 82077627
2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 64767491
2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
2-(2-cyclopropylpropan-2-yl)-5-methylcyclohexan-1-one
CID 64765340
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839369
(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985
methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62395777

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one (CID 64764056) is 2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one is COc1ccc(OC)c(C(C)(C)C2CCC(C)CC2=O)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one?
The InChIKey is FPDYAOMBGPBOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-12-6-8-14(16(19)10-12)18(2,3)15-11-13(20-4)7-9-17(15)21-5/h7,9,11-12,14H,6,8,10H2,1-5H3.
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one?
2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one has a molecular weight of 290.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one is sourced from PubChem (CID 64764056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).