(2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone

C18H26O2 — CID 116750353

IUPAC(2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
SMILESCOC1(C(=O)c2cc(C)ccc2C)CCC(C)(C)CC1
InChIInChI=1S/C18H26O2/c1-13-6-7-14(2)15(12-13)16(19)18(20-5)10-8-17(3,4)9-11-18/h6-7,12H,8-11H2,1-5H3
InChIKeyCZIDITWOZGMDRY-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.47
Rot. Bonds3

About (2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone

(2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone (PubChem CID 116750353) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
PubChem CID116750353
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
SMILESCOC1(C(=O)c2cc(C)ccc2C)CCC(C)(C)CC1
InChIInChI=1S/C18H26O2/c1-13-6-7-14(2)15(12-13)16(19)18(20-5)10-8-17(3,4)9-11-18/h6-7,12H,8-11H2,1-5H3
InChIKeyCZIDITWOZGMDRY-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone
CID 106826512
(1-methoxy-4,4-dimethylcyclohexyl)-(3-methylthiophen-2-yl)methanone
CID 116750323
(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
CID 116706943
(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone
CID 116750224
1-(2,5-dimethylbenzoyl)-3-methoxypyrrolidine-3-carboxylic acid
CID 136556535
1-(2,5-dimethylbenzoyl)cyclobutane-1-carboxylic acid
CID 116921810
(2,5-dimethylphenyl)-(2-methylthiolan-2-yl)methanone
CID 81451390
(4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749257
nitroso 2,5-dimethylbenzoate
CID 175399120
(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 104610261
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone (CID 116750353) is (2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone is COC1(C(=O)c2cc(C)ccc2C)CCC(C)(C)CC1.
What is the InChIKey of (2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
The InChIKey is CZIDITWOZGMDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-13-6-7-14(2)15(12-13)16(19)18(20-5)10-8-17(3,4)9-11-18/h6-7,12H,8-11H2,1-5H3.
What are the key properties of (2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone?
(2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone has a molecular weight of 274.40 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 116750353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).