(4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone

C17H22O2 — CID 106829738

IUPAC(4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2ccc(OC3CC3)cc2)CCCCC1
InChIInChI=1S/C17H22O2/c1-17(11-3-2-4-12-17)16(18)13-5-7-14(8-6-13)19-15-9-10-15/h5-8,15H,2-4,9-12H2,1H3
InChIKeyXTZOUJLSGTZEDY-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.38
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone

(4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone (PubChem CID 106829738) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone
PubChem CID106829738
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2ccc(OC3CC3)cc2)CCCCC1
InChIInChI=1S/C17H22O2/c1-17(11-3-2-4-12-17)16(18)13-5-7-14(8-6-13)19-15-9-10-15/h5-8,15H,2-4,9-12H2,1H3
InChIKeyXTZOUJLSGTZEDY-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520626
4-cycloheptyloxybenzamide
CID 141109251
1-(4-cyclopropyloxyphenyl)-2-hydroxy-3-methylbutan-1-one
CID 103455440
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone
CID 114521285
(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829567
4-(4-cyclohexyloxyphenyl)benzoic acid
CID 23005106
7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone
CID 115812900
(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 114521280
bromo 4-cyclobutyloxybenzoate
CID 70345059
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
CID 106826559
(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829172

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone (CID 106829738) is (4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone is CC1(C(=O)c2ccc(OC3CC3)cc2)CCCCC1.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone?
The InChIKey is XTZOUJLSGTZEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-17(11-3-2-4-12-17)16(18)13-5-7-14(8-6-13)19-15-9-10-15/h5-8,15H,2-4,9-12H2,1H3.
What are the key properties of (4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone?
(4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone has a molecular weight of 258.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106829738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).