1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one

C12H16ClO2P — CID 174476921

IUPAC1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one
SMILESCOc1cccc(Cl)c1C(=O)CCCCP
InChIInChI=1S/C12H16ClO2P/c1-15-11-7-4-5-9(13)12(11)10(14)6-2-3-8-16/h4-5,7H,2-3,6,8,16H2,1H3
InChIKeyJVHZPFVVHAAJMH-UHFFFAOYSA-N
MW258.68 g/mol
LogP3.58
Rot. Bonds6

About 1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one

1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one (PubChem CID 174476921) has the molecular formula C12H16ClO2P and a molecular weight of 258.68 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one
PubChem CID174476921
Molecular FormulaC12H16ClO2P
Molecular Weight258.68 g/mol
Exact Mass258.06
IUPAC Name1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one
SMILESCOc1cccc(Cl)c1C(=O)CCCCP
InChIInChI=1S/C12H16ClO2P/c1-15-11-7-4-5-9(13)12(11)10(14)6-2-3-8-16/h4-5,7H,2-3,6,8,16H2,1H3
InChIKeyJVHZPFVVHAAJMH-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 159993809
CID 159993809
lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
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2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
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1-(2-chloro-6-methoxyphenyl)ethanone
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lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide
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CID 114966663
1-(2,6-dichlorophenyl)pentan-1-one
CID 83950203
6-bromo-1-(2,6-dichlorophenyl)hexan-1-one
CID 146009476
1-(2-methoxy-6-methylphenyl)pentan-1-one
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4-(2,6-dimethoxyphenyl)-4-oxobutanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one (CID 174476921) is 1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one is COc1cccc(Cl)c1C(=O)CCCCP.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one?
The InChIKey is JVHZPFVVHAAJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClO2P/c1-15-11-7-4-5-9(13)12(11)10(14)6-2-3-8-16/h4-5,7H,2-3,6,8,16H2,1H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one?
1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one has a molecular weight of 258.68 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one is sourced from PubChem (CID 174476921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).