(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone

C19H22ClO3P — CID 70014412

IUPAC(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
SMILESCCCCOc1ccc(PC(=O)c2c(Cl)cccc2OC)c(C)c1
InChIInChI=1S/C19H22ClO3P/c1-4-5-11-23-14-9-10-17(13(2)12-14)24-19(21)18-15(20)7-6-8-16(18)22-3/h6-10,12,24H,4-5,11H2,1-3H3
InChIKeyKYUQZVCNDQJIRJ-UHFFFAOYSA-N
MW364.81 g/mol
LogP4.98
Rot. Bonds8

About (4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone

(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone (PubChem CID 70014412) has the molecular formula C19H22ClO3P and a molecular weight of 364.81 g/mol. Its IUPAC name is (4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
PubChem CID70014412
Molecular FormulaC19H22ClO3P
Molecular Weight364.81 g/mol
Exact Mass364.10
IUPAC Name(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
SMILESCCCCOc1ccc(PC(=O)c2c(Cl)cccc2OC)c(C)c1
InChIInChI=1S/C19H22ClO3P/c1-4-5-11-23-14-9-10-17(13(2)12-14)24-19(21)18-15(20)7-6-8-16(18)22-3/h6-10,12,24H,4-5,11H2,1-3H3
InChIKeyKYUQZVCNDQJIRJ-UHFFFAOYSA-N
XLogP4.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 54.98
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;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 70014303
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18513985
(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
CID 70016712
(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
CID 18514543
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325
[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 18514382
CID 70014164
CID 70014164
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531

Frequently Asked Questions

What is the IUPAC name of (4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone?
The IUPAC name of (4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone (CID 70014412) is (4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone.
What is the SMILES notation for (4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone?
The canonical SMILES for (4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone is CCCCOc1ccc(PC(=O)c2c(Cl)cccc2OC)c(C)c1.
What is the InChIKey of (4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone?
The InChIKey is KYUQZVCNDQJIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClO3P/c1-4-5-11-23-14-9-10-17(13(2)12-14)24-19(21)18-15(20)7-6-8-16(18)22-3/h6-10,12,24H,4-5,11H2,1-3H3.
What are the key properties of (4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone?
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone has a molecular weight of 364.81 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone is sourced from PubChem (CID 70014412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).