(2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone

C12H16ClO2P — CID 174477008

IUPAC(2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone
SMILESCCCP(C)C(=O)c1c(Cl)cccc1OC
InChIInChI=1S/C12H16ClO2P/c1-4-8-16(3)12(14)11-9(13)6-5-7-10(11)15-2/h5-7H,4,8H2,1-3H3
InChIKeyVDTMXXMZPRYZHA-UHFFFAOYSA-N
MW258.69 g/mol
LogP4.01
Rot. Bonds5

About (2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone

(2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone (PubChem CID 174477008) has the molecular formula C12H16ClO2P and a molecular weight of 258.69 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone
PubChem CID174477008
Molecular FormulaC12H16ClO2P
Molecular Weight258.69 g/mol
Exact Mass258.06
IUPAC Name(2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone
SMILESCCCP(C)C(=O)c1c(Cl)cccc1OC
InChIInChI=1S/C12H16ClO2P/c1-4-8-16(3)12(14)11-9(13)6-5-7-10(11)15-2/h5-7H,4,8H2,1-3H3
InChIKeyVDTMXXMZPRYZHA-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
CID 141023114
CID 159993809
CID 159993809
[butyl(ethyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone
CID 154288254
(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone
CID 18514206
1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one
CID 131187635
1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one
CID 174476921
ethyl 3-(2-chloro-6-methoxyphenyl)-3-oxo-2-phenylpropanoate;oxophosphanium
CID 172863601
(2-chloro-6-methoxyphenyl) propanoate
CID 67392608
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone?
The IUPAC name of (2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone (CID 174477008) is (2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone is CCCP(C)C(=O)c1c(Cl)cccc1OC.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone?
The InChIKey is VDTMXXMZPRYZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClO2P/c1-4-8-16(3)12(14)11-9(13)6-5-7-10(11)15-2/h5-7H,4,8H2,1-3H3.
What are the key properties of (2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone?
(2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone has a molecular weight of 258.69 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone is sourced from PubChem (CID 174477008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).