[butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone

C15H23O3P — CID 154288254

IUPAC[butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone
SMILESCCCCP(CC)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C15H23O3P/c1-5-7-11-19(6-2)15(16)14-12(17-3)9-8-10-13(14)18-4/h8-10H,5-7,11H2,1-4H3
InChIKeyZFCNWUMEXPBEHE-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.15
Rot. Bonds8

About [butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone

[butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone (PubChem CID 154288254) has the molecular formula C15H23O3P and a molecular weight of 282.32 g/mol. Its IUPAC name is [butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone
PubChem CID154288254
Molecular FormulaC15H23O3P
Molecular Weight282.32 g/mol
Exact Mass282.14
IUPAC Name[butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone
SMILESCCCCP(CC)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C15H23O3P/c1-5-7-11-19(6-2)15(16)14-12(17-3)9-8-10-13(14)18-4/h8-10H,5-7,11H2,1-4H3
InChIKeyZFCNWUMEXPBEHE-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethoxyphenyl)decan-1-one
CID 114966448
(2,6-dimethoxyphenyl)-diphenylphosphanylmethanone;hydrate
CID 172856957
(2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone
CID 174477008
1-(2-methoxy-6-methylphenyl)pentan-1-one
CID 83950102
2-decyl-6-methoxybenzoic acid
CID 20757679
[butyl(propyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183630
butyl-(2,6-dimethoxybenzoyl)-oxophosphanium;1,2-diphenylethane-1,2-dione
CID 175473426
ethyl 2-methoxy-6-pentylbenzoate
CID 15433169
2-butyl-1,3-dimethoxybenzene
CID 524840
(3-methoxy-2-pentanoyloxyphenyl) pentanoate
CID 90032115
3-(2,6-dimethoxybenzoyl)oxypropyl 2,6-dimethoxybenzoate
CID 4829079
2-(1-butoxyethenyl)-1,3-dimethoxybenzene
CID 102226574

Frequently Asked Questions

What is the IUPAC name of [butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of [butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone (CID 154288254) is [butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for [butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for [butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone is CCCCP(CC)C(=O)c1c(OC)cccc1OC.
What is the InChIKey of [butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone?
The InChIKey is ZFCNWUMEXPBEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O3P/c1-5-7-11-19(6-2)15(16)14-12(17-3)9-8-10-13(14)18-4/h8-10H,5-7,11H2,1-4H3.
What are the key properties of [butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone?
[butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone has a molecular weight of 282.32 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 154288254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).