1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol

C33H25O2P — CID 132565639

IUPAC1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol
SMILESO=P(c1ccccc1)(c1ccccc1)C(c1ccc2ccccc2c1)c1c(O)ccc2ccccc12
InChIInChI=1S/C33H25O2P/c34-31-22-21-25-12-9-10-18-30(25)32(31)33(27-20-19-24-11-7-8-13-26(24)23-27)36(35,28-14-3-1-4-15-28)29-16-5-2-6-17-29/h1-23,33-34H
InChIKeyPBYPSGCPROANIP-UHFFFAOYSA-N
MW484.54 g/mol
LogP7.80
Rot. Bonds5

About 1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol

1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol (PubChem CID 132565639) has the molecular formula C33H25O2P and a molecular weight of 484.54 g/mol. Its IUPAC name is 1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol
PubChem CID132565639
Molecular FormulaC33H25O2P
Molecular Weight484.54 g/mol
Exact Mass484.16
IUPAC Name1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol
SMILESO=P(c1ccccc1)(c1ccccc1)C(c1ccc2ccccc2c1)c1c(O)ccc2ccccc12
InChIInChI=1S/C33H25O2P/c34-31-22-21-25-12-9-10-18-30(25)32(31)33(27-20-19-24-11-7-8-13-26(24)23-27)36(35,28-14-3-1-4-15-28)29-16-5-2-6-17-29/h1-23,33-34H
InChIKeyPBYPSGCPROANIP-UHFFFAOYSA-N
XLogP7.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.54
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol
CID 132565640
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 19165242
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
1-[1-(4-methoxyphenyl)ethyl]naphthalen-2-ol
CID 101441341
naphthalen-2-ylmethanediol
CID 22496827
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate
CID 155933400
N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968
1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol
CID 39345448
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503

Frequently Asked Questions

What is the IUPAC name of 1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol (CID 132565639) is 1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol is O=P(c1ccccc1)(c1ccccc1)C(c1ccc2ccccc2c1)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol?
The InChIKey is PBYPSGCPROANIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25O2P/c34-31-22-21-25-12-9-10-18-30(25)32(31)33(27-20-19-24-11-7-8-13-26(24)23-27)36(35,28-14-3-1-4-15-28)29-16-5-2-6-17-29/h1-23,33-34H.
What are the key properties of 1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol?
1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol has a molecular weight of 484.54 g/mol, XLogP of 7.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 132565639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).