2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol

C34H39O4P — CID 127262784

IUPAC2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol
SMILESCOc1ccc2ccccc2c1-c1c(P(=O)(C2CCCCC2)C2CCCCC2)c(O)c2ccccc2c1OC
InChIInChI=1S/C34H39O4P/c1-37-29-22-21-23-13-9-10-18-26(23)30(29)31-33(38-2)28-20-12-11-19-27(28)32(35)34(31)39(36,24-14-5-3-6-15-24)25-16-7-4-8-17-25/h9-13,18-22,24-25,35H,3-8,14-17H2,1-2H3
InChIKeyYUOXKKYTNPBSPV-UHFFFAOYSA-N
MW542.66 g/mol
LogP9.04
Rot. Bonds6

About 2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol

2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol (PubChem CID 127262784) has the molecular formula C34H39O4P and a molecular weight of 542.66 g/mol. Its IUPAC name is 2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol.

Molecular Properties

Compound Name2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol
PubChem CID127262784
Molecular FormulaC34H39O4P
Molecular Weight542.66 g/mol
Exact Mass542.26
IUPAC Name2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol
SMILESCOc1ccc2ccccc2c1-c1c(P(=O)(C2CCCCC2)C2CCCCC2)c(O)c2ccccc2c1OC
InChIInChI=1S/C34H39O4P/c1-37-29-22-21-23-13-9-10-18-26(23)30(29)31-33(38-2)28-20-12-11-19-27(28)32(35)34(31)39(36,24-14-5-3-6-15-24)25-16-7-4-8-17-25/h9-13,18-22,24-25,35H,3-8,14-17H2,1-2H3
InChIKeyYUOXKKYTNPBSPV-UHFFFAOYSA-N
XLogP9.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.66
LogP ≤ 59.04
H-Bond Donors ≤ 51
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 2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol?
The IUPAC name of 2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol (CID 127262784) is 2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol.
What is the SMILES notation for 2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol?
The canonical SMILES for 2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol is COc1ccc2ccccc2c1-c1c(P(=O)(C2CCCCC2)C2CCCCC2)c(O)c2ccccc2c1OC.
What is the InChIKey of 2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol?
The InChIKey is YUOXKKYTNPBSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39O4P/c1-37-29-22-21-23-13-9-10-18-26(23)30(29)31-33(38-2)28-20-12-11-19-27(28)32(35)34(31)39(36,24-14-5-3-6-15-24)25-16-7-4-8-17-25/h9-13,18-22,24-25,35H,3-8,14-17H2,1-2H3.
What are the key properties of 2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol?
2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol has a molecular weight of 542.66 g/mol, XLogP of 9.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol is sourced from PubChem (CID 127262784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).