cyclopropyl-(2-methoxy-6-propylphenyl)methanone

C14H18O2 — CID 71021142

IUPACcyclopropyl-(2-methoxy-6-propylphenyl)methanone
SMILESCCCc1cccc(OC)c1C(=O)C1CC1
InChIInChI=1S/C14H18O2/c1-3-5-10-6-4-7-12(16-2)13(10)14(15)11-8-9-11/h4,6-7,11H,3,5,8-9H2,1-2H3
InChIKeyBIJXOUBJPSDBGS-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.24
Rot. Bonds5

About cyclopropyl-(2-methoxy-6-propylphenyl)methanone

cyclopropyl-(2-methoxy-6-propylphenyl)methanone (PubChem CID 71021142) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is cyclopropyl-(2-methoxy-6-propylphenyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(2-methoxy-6-propylphenyl)methanone
PubChem CID71021142
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namecyclopropyl-(2-methoxy-6-propylphenyl)methanone
SMILESCCCc1cccc(OC)c1C(=O)C1CC1
InChIInChI=1S/C14H18O2/c1-3-5-10-6-4-7-12(16-2)13(10)14(15)11-8-9-11/h4,6-7,11H,3,5,8-9H2,1-2H3
InChIKeyBIJXOUBJPSDBGS-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone
CID 116809969
cycloheptyl-(2,6-dimethoxyphenyl)methanone
CID 116810005
(2-methoxy-6-propylphenyl) acetate
CID 170893292
ethane;2-methoxy-6-propylphenol
CID 142869062
2-decyl-6-methoxybenzoic acid
CID 20757679
2-ethoxy-6-propylbenzoic acid
CID 142472864
ethyl 2-methoxy-6-pentylbenzoate
CID 15433169
1-methoxy-8-propylnaphthalene
CID 22401887
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535
1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone
CID 63914428

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-methoxy-6-propylphenyl)methanone?
The IUPAC name of cyclopropyl-(2-methoxy-6-propylphenyl)methanone (CID 71021142) is cyclopropyl-(2-methoxy-6-propylphenyl)methanone.
What is the SMILES notation for cyclopropyl-(2-methoxy-6-propylphenyl)methanone?
The canonical SMILES for cyclopropyl-(2-methoxy-6-propylphenyl)methanone is CCCc1cccc(OC)c1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-(2-methoxy-6-propylphenyl)methanone?
The InChIKey is BIJXOUBJPSDBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-5-10-6-4-7-12(16-2)13(10)14(15)11-8-9-11/h4,6-7,11H,3,5,8-9H2,1-2H3.
What are the key properties of cyclopropyl-(2-methoxy-6-propylphenyl)methanone?
cyclopropyl-(2-methoxy-6-propylphenyl)methanone has a molecular weight of 218.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-methoxy-6-propylphenyl)methanone is sourced from PubChem (CID 71021142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).