2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one

C19H28O2 — CID 64745183

IUPAC2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)OC2CCC(C)C(C)C2)cc1C
InChIInChI=1S/C19H28O2/c1-12-6-8-17(10-14(12)3)19(20)16(5)21-18-9-7-13(2)15(4)11-18/h6,8,10,13,15-16,18H,7,9,11H2,1-5H3
InChIKeyHPIWPZUQSYYEMX-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.72
Rot. Bonds4

About 2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one

2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one (PubChem CID 64745183) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one
PubChem CID64745183
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)OC2CCC(C)C(C)C2)cc1C
InChIInChI=1S/C19H28O2/c1-12-6-8-17(10-14(12)3)19(20)16(5)21-18-9-7-13(2)15(4)11-18/h6,8,10,13,15-16,18H,7,9,11H2,1-5H3
InChIKeyHPIWPZUQSYYEMX-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one (CID 64745183) is 2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)OC2CCC(C)C(C)C2)cc1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one?
The InChIKey is HPIWPZUQSYYEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-12-6-8-17(10-14(12)3)19(20)16(5)21-18-9-7-13(2)15(4)11-18/h6,8,10,13,15-16,18H,7,9,11H2,1-5H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one?
2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one has a molecular weight of 288.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-1-(3,4-dimethylphenyl)propan-1-one is sourced from PubChem (CID 64745183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).