(1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate

C17H24O2 — CID 59562754

IUPAC(1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate
SMILESCc1ccc(C)c(CC(=O)OC2(C)CCCCC2)c1
InChIInChI=1S/C17H24O2/c1-13-7-8-14(2)15(11-13)12-16(18)19-17(3)9-5-4-6-10-17/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyPEZGYYHULDRRCH-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.11
Rot. Bonds3

About (1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate

(1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate (PubChem CID 59562754) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate.

Molecular Properties

Compound Name(1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate
PubChem CID59562754
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate
SMILESCc1ccc(C)c(CC(=O)OC2(C)CCCCC2)c1
InChIInChI=1S/C17H24O2/c1-13-7-8-14(2)15(11-13)12-16(18)19-17(3)9-5-4-6-10-17/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyPEZGYYHULDRRCH-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone
CID 116598569
2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570098
1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone
CID 61482005
2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707439
(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone
CID 106826512
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,5-dimethylphenyl)acetamide
CID 107845976
[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine
CID 62725292
1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094777
2-[[1-(bromomethyl)cyclohexyl]methyl]-1,4-dimethylbenzene
CID 66050873
2-(2,5-dimethylphenyl)-N-(4-methoxy-1-methylcyclohexyl)acetamide
CID 130242276
methyl 4-[4-[2-(2,5-dimethylphenyl)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 110801365
1-(2,5-dimethylphenyl)cycloheptan-1-ol
CID 62548506

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate?
The IUPAC name of (1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate (CID 59562754) is (1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate.
What is the SMILES notation for (1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate?
The canonical SMILES for (1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate is Cc1ccc(C)c(CC(=O)OC2(C)CCCCC2)c1.
What is the InChIKey of (1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate?
The InChIKey is PEZGYYHULDRRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13-7-8-14(2)15(11-13)12-16(18)19-17(3)9-5-4-6-10-17/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of (1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate?
(1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate has a molecular weight of 260.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate is sourced from PubChem (CID 59562754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).