(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone

C20H24ClO3P — CID 70016712

IUPAC(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
SMILESCCCCCCOc1ccc(PC(=O)c2c(Cl)cccc2OC)cc1
InChIInChI=1S/C20H24ClO3P/c1-3-4-5-6-14-24-15-10-12-16(13-11-15)25-20(22)19-17(21)8-7-9-18(19)23-2/h7-13,25H,3-6,14H2,1-2H3
InChIKeyZDINRZLJTCEYIE-UHFFFAOYSA-N
MW378.84 g/mol
LogP5.45
Rot. Bonds10

About (2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone

(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone (PubChem CID 70016712) has the molecular formula C20H24ClO3P and a molecular weight of 378.84 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
PubChem CID70016712
Molecular FormulaC20H24ClO3P
Molecular Weight378.84 g/mol
Exact Mass378.12
IUPAC Name(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
SMILESCCCCCCOc1ccc(PC(=O)c2c(Cl)cccc2OC)cc1
InChIInChI=1S/C20H24ClO3P/c1-3-4-5-6-14-24-15-10-12-16(13-11-15)25-20(22)19-17(21)8-7-9-18(19)23-2/h7-13,25H,3-6,14H2,1-2H3
InChIKeyZDINRZLJTCEYIE-UHFFFAOYSA-N
XLogP5.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.84
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173245206
lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245926
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
[2,6-bis(trifluoromethyl)phenyl]-(4-hexoxyphenyl)phosphanylmethanone
CID 18513556
(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18513985
lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
CID 173245275
lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide
CID 141016208

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone?
The IUPAC name of (2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone (CID 70016712) is (2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone is CCCCCCOc1ccc(PC(=O)c2c(Cl)cccc2OC)cc1.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone?
The InChIKey is ZDINRZLJTCEYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClO3P/c1-3-4-5-6-14-24-15-10-12-16(13-11-15)25-20(22)19-17(21)8-7-9-18(19)23-2/h7-13,25H,3-6,14H2,1-2H3.
What are the key properties of (2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone?
(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone has a molecular weight of 378.84 g/mol, XLogP of 5.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone is sourced from PubChem (CID 70016712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).