naphthalen-2-ylmethanediol

C11H10O2 — CID 22496827

IUPACnaphthalen-2-ylmethanediol
SMILESOC(O)c1ccc2ccccc2c1
InChIInChI=1S/C11H10O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-13H
InChIKeyGHKPBOFORNBIAK-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.82
Rot. Bonds1

About naphthalen-2-ylmethanediol

naphthalen-2-ylmethanediol (PubChem CID 22496827) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is naphthalen-2-ylmethanediol.

Molecular Properties

Compound Namenaphthalen-2-ylmethanediol
PubChem CID22496827
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Namenaphthalen-2-ylmethanediol
SMILESOC(O)c1ccc2ccccc2c1
InChIInChI=1S/C11H10O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-13H
InChIKeyGHKPBOFORNBIAK-UHFFFAOYSA-N
XLogP1.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

amino(naphthalen-2-yl)methanol
CID 57110079
1-naphthalen-2-ylprop-2-en-1-ol
CID 10921194
ethane;2-propan-2-ylnaphthalene
CID 142226111
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
(2R)-2-hydroxy-2-naphthalen-2-ylacetamide
CID 11356121
cyclopropyl(naphthalen-2-yl)methanol
CID 62791150
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
2-propan-2-ylpentacene
CID 153380535
(1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol
CID 10802720
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
2,3-dihydroxy-3-naphthalen-2-ylpropanenitrile
CID 171870416

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylmethanediol?
The IUPAC name of naphthalen-2-ylmethanediol (CID 22496827) is naphthalen-2-ylmethanediol.
What is the SMILES notation for naphthalen-2-ylmethanediol?
The canonical SMILES for naphthalen-2-ylmethanediol is OC(O)c1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-ylmethanediol?
The InChIKey is GHKPBOFORNBIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-13H.
What are the key properties of naphthalen-2-ylmethanediol?
naphthalen-2-ylmethanediol has a molecular weight of 174.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethanediol is sourced from PubChem (CID 22496827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).