(2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone

C16H15Cl2O3P — CID 18514642

IUPAC(2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone
SMILESCCOc1ccccc1PC(=O)c1c(Cl)cc(OC)cc1Cl
InChIInChI=1S/C16H15Cl2O3P/c1-3-21-13-6-4-5-7-14(13)22-16(19)15-11(17)8-10(20-2)9-12(15)18/h4-9,22H,3H2,1-2H3
InChIKeyGIXYIKVSRRJWLU-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.54
Rot. Bonds6

About (2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone

(2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone (PubChem CID 18514642) has the molecular formula C16H15Cl2O3P and a molecular weight of 357.17 g/mol. Its IUPAC name is (2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone.

Molecular Properties

Compound Name(2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone
PubChem CID18514642
Molecular FormulaC16H15Cl2O3P
Molecular Weight357.17 g/mol
Exact Mass356.01
IUPAC Name(2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone
SMILESCCOc1ccccc1PC(=O)c1c(Cl)cc(OC)cc1Cl
InChIInChI=1S/C16H15Cl2O3P/c1-3-21-13-6-4-5-7-14(13)22-16(19)15-11(17)8-10(20-2)9-12(15)18/h4-9,22H,3H2,1-2H3
InChIKeyGIXYIKVSRRJWLU-UHFFFAOYSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.54
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

(2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70014873
lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride
CID 173244560
lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514587
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
CID 70013385
CID 70013385
(2-chloro-4-methoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18514350
(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
CID 18514543
CID 70012742
CID 70012742
2-(2-ethoxyphenoxy)-1-(2,4,6-trimethoxyphenyl)ethanone
CID 2105953
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
(2-methoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 174858055

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone?
The IUPAC name of (2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone (CID 18514642) is (2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone.
What is the SMILES notation for (2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone?
The canonical SMILES for (2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone is CCOc1ccccc1PC(=O)c1c(Cl)cc(OC)cc1Cl.
What is the InChIKey of (2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone?
The InChIKey is GIXYIKVSRRJWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2O3P/c1-3-21-13-6-4-5-7-14(13)22-16(19)15-11(17)8-10(20-2)9-12(15)18/h4-9,22H,3H2,1-2H3.
What are the key properties of (2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone?
(2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone has a molecular weight of 357.17 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-methoxyphenyl)-(2-ethoxyphenyl)phosphanylmethanone is sourced from PubChem (CID 18514642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).