(4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone

C18H20ClO2P — CID 18515249

IUPAC(4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone
SMILESCCCCOc1ccc(PC(=O)c2ccccc2C)c(Cl)c1
InChIInChI=1S/C18H20ClO2P/c1-3-4-11-21-14-9-10-17(16(19)12-14)22-18(20)15-8-6-5-7-13(15)2/h5-10,12,22H,3-4,11H2,1-2H3
InChIKeyWRIZTSYSYVSZCF-UHFFFAOYSA-N
MW334.78 g/mol
LogP4.97
Rot. Bonds7

About (4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone

(4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone (PubChem CID 18515249) has the molecular formula C18H20ClO2P and a molecular weight of 334.78 g/mol. Its IUPAC name is (4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone
PubChem CID18515249
Molecular FormulaC18H20ClO2P
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name(4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone
SMILESCCCCOc1ccc(PC(=O)c2ccccc2C)c(Cl)c1
InChIInChI=1S/C18H20ClO2P/c1-3-4-11-21-14-9-10-17(16(19)12-14)22-18(20)15-8-6-5-7-13(15)2/h5-10,12,22H,3-4,11H2,1-2H3
InChIKeyWRIZTSYSYVSZCF-UHFFFAOYSA-N
XLogP4.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 54.97
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

lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
CID 173244490
(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
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
(2-chloro-4-methoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18514350
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
(4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18514141
(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 70014303
(2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18513550
CID 70014164
CID 70014164
lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
(4-hexoxyphenyl) 2-chlorobenzoate
CID 4230058

Frequently Asked Questions

What is the IUPAC name of (4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone?
The IUPAC name of (4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone (CID 18515249) is (4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone.
What is the SMILES notation for (4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone?
The canonical SMILES for (4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone is CCCCOc1ccc(PC(=O)c2ccccc2C)c(Cl)c1.
What is the InChIKey of (4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone?
The InChIKey is WRIZTSYSYVSZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClO2P/c1-3-4-11-21-14-9-10-17(16(19)12-14)22-18(20)15-8-6-5-7-13(15)2/h5-10,12,22H,3-4,11H2,1-2H3.
What are the key properties of (4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone?
(4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone has a molecular weight of 334.78 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone is sourced from PubChem (CID 18515249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).