(4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone

C18H20ClO3P — CID 18514141

IUPAC(4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone
SMILESCCC(C)Oc1ccc(PC(=O)c2ccccc2OC)c(Cl)c1
InChIInChI=1S/C18H20ClO3P/c1-4-12(2)22-13-9-10-17(15(19)11-13)23-18(20)14-7-5-6-8-16(14)21-3/h5-12,23H,4H2,1-3H3
InChIKeyAIJKSVKZOVGDDR-UHFFFAOYSA-N
MW350.78 g/mol
LogP4.67
Rot. Bonds7

About (4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone

(4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone (PubChem CID 18514141) has the molecular formula C18H20ClO3P and a molecular weight of 350.78 g/mol. Its IUPAC name is (4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone
PubChem CID18514141
Molecular FormulaC18H20ClO3P
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC Name(4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone
SMILESCCC(C)Oc1ccc(PC(=O)c2ccccc2OC)c(Cl)c1
InChIInChI=1S/C18H20ClO3P/c1-4-12(2)22-13-9-10-17(15(19)11-13)23-18(20)14-7-5-6-8-16(14)21-3/h5-12,23H,4H2,1-3H3
InChIKeyAIJKSVKZOVGDDR-UHFFFAOYSA-N
XLogP4.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 54.67
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
(2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18513550
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050
lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
CID 173245149
CID 70014116
CID 70014116
(4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone
CID 18515249
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173244207
butan-2-yl 2-methoxybenzenecarboperoxoate
CID 173265515
lithium;(2-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
CID 173244490
CID 70016722
CID 70016722
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173245454

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone?
The IUPAC name of (4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone (CID 18514141) is (4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone.
What is the SMILES notation for (4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone?
The canonical SMILES for (4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone is CCC(C)Oc1ccc(PC(=O)c2ccccc2OC)c(Cl)c1.
What is the InChIKey of (4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone?
The InChIKey is AIJKSVKZOVGDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClO3P/c1-4-12(2)22-13-9-10-17(15(19)11-13)23-18(20)14-7-5-6-8-16(14)21-3/h5-12,23H,4H2,1-3H3.
What are the key properties of (4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone?
(4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone has a molecular weight of 350.78 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone is sourced from PubChem (CID 18514141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).