2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol

C21H17O2P — CID 23082396

IUPAC2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol
SMILESOc1c(C(P)c2ccc3ccccc3c2O)ccc2ccccc12
InChIInChI=1S/C21H17O2P/c22-19-15-7-3-1-5-13(15)9-11-17(19)21(24)18-12-10-14-6-2-4-8-16(14)20(18)23/h1-12,21-23H,24H2
InChIKeyKBXLFTCRAQAVIF-UHFFFAOYSA-N
MW332.34 g/mol
LogP5.37
Rot. Bonds2

About 2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol

2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol (PubChem CID 23082396) has the molecular formula C21H17O2P and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol
PubChem CID23082396
Molecular FormulaC21H17O2P
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC Name2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol
SMILESOc1c(C(P)c2ccc3ccccc3c2O)ccc2ccccc12
InChIInChI=1S/C21H17O2P/c22-19-15-7-3-1-5-13(15)9-11-17(19)21(24)18-12-10-14-6-2-4-8-16(14)20(18)23/h1-12,21-23H,24H2
InChIKeyKBXLFTCRAQAVIF-UHFFFAOYSA-N
XLogP5.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.34
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bromoethyl)naphthalen-1-ol
CID 140980182
2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82977951
1-(1-hydroxynaphthalen-2-yl)-3-sulfanylpropane-1,2-diol
CID 170820617
3-chloro-1-(1-hydroxynaphthalen-2-yl)propane-1,2-diol
CID 171862774
methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate
CID 135040960
2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol
CID 82958439
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]naphthalen-1-ol
CID 79353109
2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol
CID 70490928
2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol
CID 43207098
2-[(R)-amino-(4-methylphenyl)methyl]naphthalen-1-ol
CID 39345482
[(4-chlorophenyl)-(1-hydroxynaphthalen-2-yl)methyl]azanium
CID 23250274

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol?
The IUPAC name of 2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol (CID 23082396) is 2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol?
The canonical SMILES for 2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol is Oc1c(C(P)c2ccc3ccccc3c2O)ccc2ccccc12.
What is the InChIKey of 2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol?
The InChIKey is KBXLFTCRAQAVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17O2P/c22-19-15-7-3-1-5-13(15)9-11-17(19)21(24)18-12-10-14-6-2-4-8-16(14)20(18)23/h1-12,21-23H,24H2.
What are the key properties of 2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol?
2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol has a molecular weight of 332.34 g/mol, XLogP of 5.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol is sourced from PubChem (CID 23082396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).