(2-dicyclohexylphosphanylphenyl)-phenylmethanone

C25H31OP — CID 53411822

IUPAC(2-dicyclohexylphosphanylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H31OP/c26-25(20-12-4-1-5-13-20)23-18-10-11-19-24(23)27(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2
InChIKeyNFAAYQZZHNIMDJ-UHFFFAOYSA-N
MW378.50 g/mol
LogP6.69
Rot. Bonds5

About (2-dicyclohexylphosphanylphenyl)-phenylmethanone

(2-dicyclohexylphosphanylphenyl)-phenylmethanone (PubChem CID 53411822) has the molecular formula C25H31OP and a molecular weight of 378.50 g/mol. Its IUPAC name is (2-dicyclohexylphosphanylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-dicyclohexylphosphanylphenyl)-phenylmethanone
PubChem CID53411822
Molecular FormulaC25H31OP
Molecular Weight378.50 g/mol
Exact Mass378.21
IUPAC Name(2-dicyclohexylphosphanylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H31OP/c26-25(20-12-4-1-5-13-20)23-18-10-11-19-24(23)27(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2
InChIKeyNFAAYQZZHNIMDJ-UHFFFAOYSA-N
XLogP6.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-dicyclohexylphosphanylphenyl)-phenylmethanone?
The IUPAC name of (2-dicyclohexylphosphanylphenyl)-phenylmethanone (CID 53411822) is (2-dicyclohexylphosphanylphenyl)-phenylmethanone.
What is the SMILES notation for (2-dicyclohexylphosphanylphenyl)-phenylmethanone?
The canonical SMILES for (2-dicyclohexylphosphanylphenyl)-phenylmethanone is O=C(c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (2-dicyclohexylphosphanylphenyl)-phenylmethanone?
The InChIKey is NFAAYQZZHNIMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31OP/c26-25(20-12-4-1-5-13-20)23-18-10-11-19-24(23)27(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2.
What are the key properties of (2-dicyclohexylphosphanylphenyl)-phenylmethanone?
(2-dicyclohexylphosphanylphenyl)-phenylmethanone has a molecular weight of 378.50 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dicyclohexylphosphanylphenyl)-phenylmethanone is sourced from PubChem (CID 53411822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).