[4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol

C32H41O4P — CID 134464404

IUPAC[4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol
SMILESCOc1ccc(-c2c(CO)cc(CO)c3ccccc23)c(OC)c1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H41O4P/c1-35-29-18-17-28(30-23(21-34)19-22(20-33)26-15-9-10-16-27(26)30)31(36-2)32(29)37(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h9-10,15-19,24-25,33-34H,3-8,11-14,20-21H2,1-2H3
InChIKeyKPVMSSSKGNQSIG-UHFFFAOYSA-N
MW520.65 g/mol
LogP7.28
Rot. Bonds8

About [4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol

[4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol (PubChem CID 134464404) has the molecular formula C32H41O4P and a molecular weight of 520.65 g/mol. Its IUPAC name is [4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol
PubChem CID134464404
Molecular FormulaC32H41O4P
Molecular Weight520.65 g/mol
Exact Mass520.27
IUPAC Name[4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol
SMILESCOc1ccc(-c2c(CO)cc(CO)c3ccccc23)c(OC)c1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H41O4P/c1-35-29-18-17-28(30-23(21-34)19-22(20-33)26-15-9-10-16-27(26)30)31(36-2)32(29)37(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h9-10,15-19,24-25,33-34H,3-8,11-14,20-21H2,1-2H3
InChIKeyKPVMSSSKGNQSIG-UHFFFAOYSA-N
XLogP7.28
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.65
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol?
The IUPAC name of [4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol (CID 134464404) is [4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol.
What is the SMILES notation for [4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol?
The canonical SMILES for [4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol is COc1ccc(-c2c(CO)cc(CO)c3ccccc23)c(OC)c1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol?
The InChIKey is KPVMSSSKGNQSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41O4P/c1-35-29-18-17-28(30-23(21-34)19-22(20-33)26-15-9-10-16-27(26)30)31(36-2)32(29)37(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h9-10,15-19,24-25,33-34H,3-8,11-14,20-21H2,1-2H3.
What are the key properties of [4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol?
[4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol has a molecular weight of 520.65 g/mol, XLogP of 7.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol is sourced from PubChem (CID 134464404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).