(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone

C26H36ClO5P — CID 22460050

IUPAC(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
SMILESCCC(C)Oc1cc(OC(C)CC)c(PC(=O)c2c(Cl)cccc2OC)c(OC(C)CC)c1
InChIInChI=1S/C26H36ClO5P/c1-8-16(4)30-19-14-22(31-17(5)9-2)25(23(15-19)32-18(6)10-3)33-26(28)24-20(27)12-11-13-21(24)29-7/h11-18,33H,8-10H2,1-7H3
InChIKeyYWPMPJKHLHIGJC-UHFFFAOYSA-N
MW495.00 g/mol
LogP7.02
Rot. Bonds13

About (2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone

(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone (PubChem CID 22460050) has the molecular formula C26H36ClO5P and a molecular weight of 495.00 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
PubChem CID22460050
Molecular FormulaC26H36ClO5P
Molecular Weight495.00 g/mol
Exact Mass494.20
IUPAC Name(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
SMILESCCC(C)Oc1cc(OC(C)CC)c(PC(=O)c2c(Cl)cccc2OC)c(OC(C)CC)c1
InChIInChI=1S/C26H36ClO5P/c1-8-16(4)30-19-14-22(31-17(5)9-2)25(23(15-19)32-18(6)10-3)33-26(28)24-20(27)12-11-13-21(24)29-7/h11-18,33H,8-10H2,1-7H3
InChIKeyYWPMPJKHLHIGJC-UHFFFAOYSA-N
XLogP7.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.00
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173245454
lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173243351
lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173244432
lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514587
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18515183
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325
(2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 18515217
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245941
CID 70014116
CID 70014116
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70012807
lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245190

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone?
The IUPAC name of (2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone (CID 22460050) is (2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone is CCC(C)Oc1cc(OC(C)CC)c(PC(=O)c2c(Cl)cccc2OC)c(OC(C)CC)c1.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone?
The InChIKey is YWPMPJKHLHIGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClO5P/c1-8-16(4)30-19-14-22(31-17(5)9-2)25(23(15-19)32-18(6)10-3)33-26(28)24-20(27)12-11-13-21(24)29-7/h11-18,33H,8-10H2,1-7H3.
What are the key properties of (2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone?
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone has a molecular weight of 495.00 g/mol, XLogP of 7.02, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone is sourced from PubChem (CID 22460050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).