6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone

C16H20O — CID 115812266

IUPAC6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2C3CCCC32)c1
InChIInChI=1S/C16H20O/c1-2-5-11-6-3-7-12(10-11)16(17)15-13-8-4-9-14(13)15/h3,6-7,10,13-15H,2,4-5,8-9H2,1H3
InChIKeyJVURTSRTSJELJI-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.87
Rot. Bonds4

About 6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone

6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone (PubChem CID 115812266) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone
PubChem CID115812266
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2C3CCCC32)c1
InChIInChI=1S/C16H20O/c1-2-5-11-6-3-7-12(10-11)16(17)15-13-8-4-9-14(13)15/h3,6-7,10,13-15H,2,4-5,8-9H2,1H3
InChIKeyJVURTSRTSJELJI-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methyloxolan-2-yl)-(3-propylphenyl)methanone
CID 115812017
(4-tert-butylcyclohexyl)-(3-propylphenyl)methanone
CID 116543285
(3-propylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 105134013
2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone
CID 116543458
(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
CID 116748314
1,4-oxathian-2-yl-(3-propylphenyl)methanone
CID 116543386
(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone
CID 116607279
3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one
CID 116608801
methyl 3-propylbenzoate
CID 12861009
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone
CID 116550292
(2-methyloxolan-2-yl)-(3-propylphenyl)methanone
CID 116543391

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone (CID 115812266) is 6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone is CCCc1cccc(C(=O)C2C3CCCC32)c1.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone?
The InChIKey is JVURTSRTSJELJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-2-5-11-6-3-7-12(10-11)16(17)15-13-8-4-9-14(13)15/h3,6-7,10,13-15H,2,4-5,8-9H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone?
6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone has a molecular weight of 228.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone is sourced from PubChem (CID 115812266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).