6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C21H16O3 — CID 102520249

IUPAC6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOCc1ccc2c(-c3c(O)ccc4ccccc34)c(O)ccc2c1
InChIInChI=1S/C21H16O3/c22-12-13-5-8-17-15(11-13)7-10-19(24)21(17)20-16-4-2-1-3-14(16)6-9-18(20)23/h1-11,22-24H,12H2
InChIKeyJIXWBWRUNUFPKE-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.56
Rot. Bonds2

About 6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 102520249) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID102520249
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOCc1ccc2c(-c3c(O)ccc4ccccc34)c(O)ccc2c1
InChIInChI=1S/C21H16O3/c22-12-13-5-8-17-15(11-13)7-10-19(24)21(17)20-16-4-2-1-3-14(16)6-9-18(20)23/h1-11,22-24H,12H2
InChIKeyJIXWBWRUNUFPKE-UHFFFAOYSA-N
XLogP4.56
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol
CID 11463398
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 10018263
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol
CID 86090992
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327
1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
CID 67157613
cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
3-[3-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]propyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101021854

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 102520249) is 6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is OCc1ccc2c(-c3c(O)ccc4ccccc34)c(O)ccc2c1.
What is the InChIKey of 6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is JIXWBWRUNUFPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c22-12-13-5-8-17-15(11-13)7-10-19(24)21(17)20-16-4-2-1-3-14(16)6-9-18(20)23/h1-11,22-24H,12H2.
What are the key properties of 6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 316.36 g/mol, XLogP of 4.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 102520249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).