1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol

C33H31O2P — CID 132565640

IUPAC1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol
SMILESCC(C)(C)c1ccc(C(c2c(O)ccc3ccccc23)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H31O2P/c1-33(2,3)26-21-18-25(19-22-26)32(31-29-17-11-10-12-24(29)20-23-30(31)34)36(35,27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-23,32,34H,1-3H3
InChIKeyYDTYVALGGPTEBS-UHFFFAOYSA-N
MW490.58 g/mol
LogP7.95
Rot. Bonds5

About 1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol

1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol (PubChem CID 132565640) has the molecular formula C33H31O2P and a molecular weight of 490.58 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol
PubChem CID132565640
Molecular FormulaC33H31O2P
Molecular Weight490.58 g/mol
Exact Mass490.21
IUPAC Name1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol
SMILESCC(C)(C)c1ccc(C(c2c(O)ccc3ccccc23)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H31O2P/c1-33(2,3)26-21-18-25(19-22-26)32(31-29-17-11-10-12-24(29)20-23-30(31)34)36(35,27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-23,32,34H,1-3H3
InChIKeyYDTYVALGGPTEBS-UHFFFAOYSA-N
XLogP7.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.58
LogP ≤ 57.95
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-[diphenylphosphoryl(naphthalen-2-yl)methyl]naphthalen-2-ol
CID 132565639
4-(4-tert-butylphenoxy)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide
CID 19173596
N-tert-butyl-2-(2-hydroxynaphthalen-1-yl)-2-phenylacetamide
CID 154088304
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
1-(4-tert-butylphenoxy)naphthalen-2-ol
CID 57113937
7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid
CID 19606931
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
1-[1-(4-methoxyphenyl)ethyl]naphthalen-2-ol
CID 101441341
2-[1-(4-tert-butylphenyl)propyl]phenol
CID 174617278
1-[(1R)-1-amino-2-methylpropyl]naphthalen-2-ol
CID 39345560

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol (CID 132565640) is 1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol is CC(C)(C)c1ccc(C(c2c(O)ccc3ccccc23)P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol?
The InChIKey is YDTYVALGGPTEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31O2P/c1-33(2,3)26-21-18-25(19-22-26)32(31-29-17-11-10-12-24(29)20-23-30(31)34)36(35,27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-23,32,34H,1-3H3.
What are the key properties of 1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol?
1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol has a molecular weight of 490.58 g/mol, XLogP of 7.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)-diphenylphosphorylmethyl]naphthalen-2-ol is sourced from PubChem (CID 132565640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).