7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone

C17H20O2 — CID 115812900

IUPAC7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)C1C2CCCCC21
InChIInChI=1S/C17H20O2/c18-17(16-14-3-1-2-4-15(14)16)11-5-7-12(8-6-11)19-13-9-10-13/h5-8,13-16H,1-4,9-10H2
InChIKeyIJCIYCGABBVSCZ-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.85
Rot. Bonds4

About 7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone

7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone (PubChem CID 115812900) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone
PubChem CID115812900
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)C1C2CCCCC21
InChIInChI=1S/C17H20O2/c18-17(16-14-3-1-2-4-15(14)16)11-5-7-12(8-6-11)19-13-9-10-13/h5-8,13-16H,1-4,9-10H2
InChIKeyIJCIYCGABBVSCZ-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclopropyloxyphenyl)-(thian-2-yl)methanone
CID 114518934
(4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
CID 114518933
bromo 4-cyclobutyloxybenzoate
CID 70345059
4-cycloheptyloxybenzamide
CID 141109251
[(1R,5S,6R,7S)-7-(4-chlorobenzoyl)-6-bicyclo[3.2.0]heptanyl]-(4-chlorophenyl)methanone
CID 11176237
4-(4-cyclohexyloxyphenyl)benzoic acid
CID 23005106
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105134314
2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114520577
2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone
CID 114518858
(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520626
2-amino-1-(4-cyclopentyloxyphenyl)propan-1-one
CID 82290159
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone (CID 115812900) is 7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone is O=C(c1ccc(OC2CC2)cc1)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone?
The InChIKey is IJCIYCGABBVSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-17(16-14-3-1-2-4-15(14)16)11-5-7-12(8-6-11)19-13-9-10-13/h5-8,13-16H,1-4,9-10H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone?
7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone has a molecular weight of 256.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 115812900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).