(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone

C18H24O3 — CID 114602138

IUPAC(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
SMILESCCOC1(C(=O)c2cccc(C3CCC3)c2)CCOCC1
InChIInChI=1S/C18H24O3/c1-2-21-18(9-11-20-12-10-18)17(19)16-8-4-7-15(13-16)14-5-3-6-14/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3
InChIKeyOFRRKFQHBXJMMG-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.72
Rot. Bonds5

About (3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone

(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone (PubChem CID 114602138) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
PubChem CID114602138
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
SMILESCCOC1(C(=O)c2cccc(C3CCC3)c2)CCOCC1
InChIInChI=1S/C18H24O3/c1-2-21-18(9-11-20-12-10-18)17(19)16-8-4-7-15(13-16)14-5-3-6-14/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3
InChIKeyOFRRKFQHBXJMMG-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone
CID 116748889
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116749027
(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 114521280
(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone
CID 116748823
(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447908
1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one
CID 114602128
1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103168158
(E)-1-(3-cyclobutylphenyl)pent-2-en-1-one
CID 103454372
(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
CID 116748270
[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone
CID 114607743
(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116810111

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone?
The IUPAC name of (3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone (CID 114602138) is (3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone.
What is the SMILES notation for (3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone?
The canonical SMILES for (3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone is CCOC1(C(=O)c2cccc(C3CCC3)c2)CCOCC1.
What is the InChIKey of (3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone?
The InChIKey is OFRRKFQHBXJMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-2-21-18(9-11-20-12-10-18)17(19)16-8-4-7-15(13-16)14-5-3-6-14/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone?
(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone is sourced from PubChem (CID 114602138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).