(4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone

C19H26O2 — CID 116749559

IUPAC(4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone
SMILESCOC1(C(=O)c2ccc(C3CCC3)cc2)CCCC(C)C1
InChIInChI=1S/C19H26O2/c1-14-5-4-12-19(13-14,21-2)18(20)17-10-8-16(9-11-17)15-6-3-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3
InChIKeyDBQGIERRXRSRDX-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.73
Rot. Bonds4

About (4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone

(4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone (PubChem CID 116749559) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone
PubChem CID116749559
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name(4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone
SMILESCOC1(C(=O)c2ccc(C3CCC3)cc2)CCCC(C)C1
InChIInChI=1S/C19H26O2/c1-14-5-4-12-19(13-14,21-2)18(20)17-10-8-16(9-11-17)15-6-3-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3
InChIKeyDBQGIERRXRSRDX-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone
CID 116505722
furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749625
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749233
(1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749640
2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749721
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 116749993
(4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 114642790
2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749729
4-cyclobutyl-N-propan-2-ylbenzamide
CID 174282086
cis-(1R,3R)-N-(4-cyclopentyloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100705713

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone?
The IUPAC name of (4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone (CID 116749559) is (4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone.
What is the SMILES notation for (4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone?
The canonical SMILES for (4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone is COC1(C(=O)c2ccc(C3CCC3)cc2)CCCC(C)C1.
What is the InChIKey of (4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone?
The InChIKey is DBQGIERRXRSRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-14-5-4-12-19(13-14,21-2)18(20)17-10-8-16(9-11-17)15-6-3-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3.
What are the key properties of (4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone?
(4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone has a molecular weight of 286.41 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone is sourced from PubChem (CID 116749559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).