(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone

C20H25O4P — CID 18514325

IUPAC(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
SMILESCCC(C)Oc1ccc(PC(=O)c2c(OC)cccc2OC)c(C)c1
InChIInChI=1S/C20H25O4P/c1-6-14(3)24-15-10-11-18(13(2)12-15)25-20(21)19-16(22-4)8-7-9-17(19)23-5/h7-12,14,25H,6H2,1-5H3
InChIKeyHTDSZPYDDONAGK-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.33
Rot. Bonds8

About (4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone

(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone (PubChem CID 18514325) has the molecular formula C20H25O4P and a molecular weight of 360.39 g/mol. Its IUPAC name is (4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
PubChem CID18514325
Molecular FormulaC20H25O4P
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
SMILESCCC(C)Oc1ccc(PC(=O)c2c(OC)cccc2OC)c(C)c1
InChIInChI=1S/C20H25O4P/c1-6-14(3)24-15-10-11-18(13(2)12-15)25-20(21)19-16(22-4)8-7-9-17(19)23-5/h7-12,14,25H,6H2,1-5H3
InChIKeyHTDSZPYDDONAGK-UHFFFAOYSA-N
XLogP4.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 70014116
CID 70014116
CID 70016722
CID 70016722
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173244207
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173245454
[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70016913
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
(4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18514141
CID 70014914
CID 70014914
lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173243510
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514415

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of (4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone (CID 18514325) is (4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for (4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone is CCC(C)Oc1ccc(PC(=O)c2c(OC)cccc2OC)c(C)c1.
What is the InChIKey of (4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone?
The InChIKey is HTDSZPYDDONAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O4P/c1-6-14(3)24-15-10-11-18(13(2)12-15)25-20(21)19-16(22-4)8-7-9-17(19)23-5/h7-12,14,25H,6H2,1-5H3.
What are the key properties of (4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone?
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone has a molecular weight of 360.39 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 18514325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).