(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone

C19H26O2 — CID 114602144

IUPAC(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
SMILESCOC1(C(=O)c2cccc(C3CCC3)c2)CCCCCC1
InChIInChI=1S/C19H26O2/c1-21-19(12-4-2-3-5-13-19)18(20)17-11-7-10-16(14-17)15-8-6-9-15/h7,10-11,14-15H,2-6,8-9,12-13H2,1H3
InChIKeyMNAYWVDGCYSGTH-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.88
Rot. Bonds4

About (3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone

(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone (PubChem CID 114602144) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
PubChem CID114602144
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
SMILESCOC1(C(=O)c2cccc(C3CCC3)c2)CCCCCC1
InChIInChI=1S/C19H26O2/c1-21-19(12-4-2-3-5-13-19)18(20)17-11-7-10-16(14-17)15-8-6-9-15/h7,10-11,14-15H,2-6,8-9,12-13H2,1H3
InChIKeyMNAYWVDGCYSGTH-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone
CID 116505722
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone
CID 114521285
(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447908
(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 114602138
methyl 3-cyclohexylbenzoate
CID 67160762
(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone
CID 116750643
(3-ethylphenyl)-(1-methoxycyclopentyl)methanone
CID 104610223
(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
CID 116750403
(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
CID 116747974
(1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749281
2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone
CID 114607601
(3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749231

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone?
The IUPAC name of (3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone (CID 114602144) is (3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone.
What is the SMILES notation for (3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone?
The canonical SMILES for (3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone is COC1(C(=O)c2cccc(C3CCC3)c2)CCCCCC1.
What is the InChIKey of (3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone?
The InChIKey is MNAYWVDGCYSGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-21-19(12-4-2-3-5-13-19)18(20)17-11-7-10-16(14-17)15-8-6-9-15/h7,10-11,14-15H,2-6,8-9,12-13H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone?
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone has a molecular weight of 286.41 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone is sourced from PubChem (CID 114602144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).