(3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol

C20H27O2P — CID 144528974

IUPAC(3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol
SMILESCc1ccc(P(=O)(C[C@H](C)C(C)(C)O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H27O2P/c1-15-6-10-18(11-7-15)23(22,14-17(3)20(4,5)21)19-12-8-16(2)9-13-19/h6-13,17,21H,14H2,1-5H3/t17-/m0/s1
InChIKeyJOYOFFBAVPRFNV-KRWDZBQOSA-N
MW330.41 g/mol
LogP4.02
Rot. Bonds5

About (3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol

(3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol (PubChem CID 144528974) has the molecular formula C20H27O2P and a molecular weight of 330.41 g/mol. Its IUPAC name is (3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol
PubChem CID144528974
Molecular FormulaC20H27O2P
Molecular Weight330.41 g/mol
Exact Mass330.17
IUPAC Name(3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol
SMILESCc1ccc(P(=O)(C[C@H](C)C(C)(C)O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H27O2P/c1-15-6-10-18(11-7-15)23(22,14-17(3)20(4,5)21)19-12-8-16(2)9-13-19/h6-13,17,21H,14H2,1-5H3/t17-/m0/s1
InChIKeyJOYOFFBAVPRFNV-KRWDZBQOSA-N
XLogP4.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol?
The IUPAC name of (3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol (CID 144528974) is (3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol.
What is the SMILES notation for (3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol?
The canonical SMILES for (3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol is Cc1ccc(P(=O)(C[C@H](C)C(C)(C)O)c2ccc(C)cc2)cc1.
What is the InChIKey of (3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol?
The InChIKey is JOYOFFBAVPRFNV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27O2P/c1-15-6-10-18(11-7-15)23(22,14-17(3)20(4,5)21)19-12-8-16(2)9-13-19/h6-13,17,21H,14H2,1-5H3/t17-/m0/s1.
What are the key properties of (3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol?
(3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol has a molecular weight of 330.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-bis(4-methylphenyl)phosphoryl-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 144528974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).