(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone

C18H24O3 — CID 114521285

IUPAC(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone
SMILESCOC1(C(=O)c2cccc(OC3CC3)c2)CCCCCC1
InChIInChI=1S/C18H24O3/c1-20-18(11-4-2-3-5-12-18)17(19)14-7-6-8-16(13-14)21-15-9-10-15/h6-8,13,15H,2-5,9-12H2,1H3
InChIKeyKCBIJDXCCBCYOW-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.15
Rot. Bonds5

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

(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone (PubChem CID 114521285) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone
PubChem CID114521285
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone
SMILESCOC1(C(=O)c2cccc(OC3CC3)c2)CCCCCC1
InChIInChI=1S/C18H24O3/c1-20-18(11-4-2-3-5-12-18)17(19)14-7-6-8-16(13-14)21-15-9-10-15/h6-8,13,15H,2-5,9-12H2,1H3
InChIKeyKCBIJDXCCBCYOW-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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-ethoxycyclohexyl)methanone
CID 114521280
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
CID 116750403
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
CID 116747974
(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523783
(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone
CID 116750643
(3-ethylphenyl)-(1-methoxycyclopentyl)methanone
CID 104610223
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone
CID 116505722

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone?
The IUPAC name of (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone (CID 114521285) is (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone is COC1(C(=O)c2cccc(OC3CC3)c2)CCCCCC1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone?
The InChIKey is KCBIJDXCCBCYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-20-18(11-4-2-3-5-12-18)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-methoxycycloheptyl)methanone?
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone has a molecular weight of 288.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone is sourced from PubChem (CID 114521285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).