(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone

C18H24O3 — CID 114521280

IUPAC(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
SMILESCCOC1(C(=O)c2cccc(OC3CC3)c2)CCCCC1
InChIInChI=1S/C18H24O3/c1-2-20-18(11-4-3-5-12-18)17(19)14-7-6-8-16(13-14)21-15-9-10-15/h6-8,13,15H,2-5,9-12H2,1H3
InChIKeyYHPJNSDDOWTSFK-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.15
Rot. Bonds6

About (3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone

(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone (PubChem CID 114521280) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
PubChem CID114521280
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
SMILESCCOC1(C(=O)c2cccc(OC3CC3)c2)CCCCC1
InChIInChI=1S/C18H24O3/c1-2-20-18(11-4-3-5-12-18)17(19)14-7-6-8-16(13-14)21-15-9-10-15/h6-8,13,15H,2-5,9-12H2,1H3
InChIKeyYHPJNSDDOWTSFK-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone
CID 114521285
(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
CID 116748270
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
CID 116748314
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 114602138
(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone
CID 116748889
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523783
ethyl 2-[3-(oxan-4-yloxy)phenyl]-2-oxoacetate
CID 117445953

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone?
The IUPAC name of (3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone (CID 114521280) is (3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone is CCOC1(C(=O)c2cccc(OC3CC3)c2)CCCCC1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone?
The InChIKey is YHPJNSDDOWTSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-2-20-18(11-4-3-5-12-18)17(19)14-7-6-8-16(13-14)21-15-9-10-15/h6-8,13,15H,2-5,9-12H2,1H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone?
(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone has a molecular weight of 288.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone is sourced from PubChem (CID 114521280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).