6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone

C14H16O2 — CID 114962813

IUPAC6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1C2CCCC21
InChIInChI=1S/C14H16O2/c1-16-12-8-3-2-5-11(12)14(15)13-9-6-4-7-10(9)13/h2-3,5,8-10,13H,4,6-7H2,1H3
InChIKeyJZFXBJVBUIEWIP-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.92
Rot. Bonds3

About 6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone

6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone (PubChem CID 114962813) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone
PubChem CID114962813
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1C2CCCC21
InChIInChI=1S/C14H16O2/c1-16-12-8-3-2-5-11(12)14(15)13-9-6-4-7-10(9)13/h2-3,5,8-10,13H,4,6-7H2,1H3
InChIKeyJZFXBJVBUIEWIP-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 53411585
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate
CID 67302137
(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone
CID 107003800
(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944243
1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 2-methoxybenzoate
CID 3954473
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one
CID 102289193
2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone
CID 105079897
2-cyclohexyl-2-hydroxy-1-(2-methoxyphenyl)ethanone
CID 103457383

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone (CID 114962813) is 6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)C1C2CCCC21.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone?
The InChIKey is JZFXBJVBUIEWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-16-12-8-3-2-5-11(12)14(15)13-9-6-4-7-10(9)13/h2-3,5,8-10,13H,4,6-7H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone?
6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone has a molecular weight of 216.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone is sourced from PubChem (CID 114962813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).