(2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone

C20H16ClO3P — CID 18513550

IUPAC(2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)Pc1ccc(Oc2ccccc2)cc1Cl
InChIInChI=1S/C20H16ClO3P/c1-23-18-10-6-5-9-16(18)20(22)25-19-12-11-15(13-17(19)21)24-14-7-3-2-4-8-14/h2-13,25H,1H3
InChIKeyHQFHNWJREFGPNI-UHFFFAOYSA-N
MW370.77 g/mol
LogP5.29
Rot. Bonds6

About (2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone

(2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone (PubChem CID 18513550) has the molecular formula C20H16ClO3P and a molecular weight of 370.77 g/mol. Its IUPAC name is (2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone
PubChem CID18513550
Molecular FormulaC20H16ClO3P
Molecular Weight370.77 g/mol
Exact Mass370.05
IUPAC Name(2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)Pc1ccc(Oc2ccccc2)cc1Cl
InChIInChI=1S/C20H16ClO3P/c1-23-18-10-6-5-9-16(18)20(22)25-19-12-11-15(13-17(19)21)24-14-7-3-2-4-8-14/h2-13,25H,1H3
InChIKeyHQFHNWJREFGPNI-UHFFFAOYSA-N
XLogP5.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.77
LogP ≤ 55.29
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

(2-chloro-4-methoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18514350
(4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18514141
CID 70014914
CID 70014914
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
CID 173245149
(4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone
CID 18515249
1-[2-(3,4-dichlorophenoxy)phenyl]ethanone
CID 60699063
lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
CID 173244490
(4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513535
CID 70012958
CID 70012958
lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride
CID 173243461
2-methoxybenzoic acid;phenyl hydrogen carbonate
CID 66629291

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone?
The IUPAC name of (2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone (CID 18513550) is (2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone.
What is the SMILES notation for (2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone?
The canonical SMILES for (2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)Pc1ccc(Oc2ccccc2)cc1Cl.
What is the InChIKey of (2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone?
The InChIKey is HQFHNWJREFGPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClO3P/c1-23-18-10-6-5-9-16(18)20(22)25-19-12-11-15(13-17(19)21)24-14-7-3-2-4-8-14/h2-13,25H,1H3.
What are the key properties of (2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone?
(2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone has a molecular weight of 370.77 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone is sourced from PubChem (CID 18513550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).