[6-(hydroxymethyl)naphthalen-2-yl]methanol

C12H12O2 — CID 11788722

IUPAC[6-(hydroxymethyl)naphthalen-2-yl]methanol
SMILESOCc1ccc2cc(CO)ccc2c1
InChIInChI=1S/C12H12O2/c13-7-9-1-3-11-6-10(8-14)2-4-12(11)5-9/h1-6,13-14H,7-8H2
InChIKeySSFGHKDDKYEERH-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.82
Rot. Bonds2

About [6-(hydroxymethyl)naphthalen-2-yl]methanol

[6-(hydroxymethyl)naphthalen-2-yl]methanol (PubChem CID 11788722) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is [6-(hydroxymethyl)naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)naphthalen-2-yl]methanol
PubChem CID11788722
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name[6-(hydroxymethyl)naphthalen-2-yl]methanol
SMILESOCc1ccc2cc(CO)ccc2c1
InChIInChI=1S/C12H12O2/c13-7-9-1-3-11-6-10(8-14)2-4-12(11)5-9/h1-6,13-14H,7-8H2
InChIKeySSFGHKDDKYEERH-UHFFFAOYSA-N
XLogP1.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)naphthalen-2-yl]methanol?
The IUPAC name of [6-(hydroxymethyl)naphthalen-2-yl]methanol (CID 11788722) is [6-(hydroxymethyl)naphthalen-2-yl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)naphthalen-2-yl]methanol?
The canonical SMILES for [6-(hydroxymethyl)naphthalen-2-yl]methanol is OCc1ccc2cc(CO)ccc2c1.
What is the InChIKey of [6-(hydroxymethyl)naphthalen-2-yl]methanol?
The InChIKey is SSFGHKDDKYEERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-7-9-1-3-11-6-10(8-14)2-4-12(11)5-9/h1-6,13-14H,7-8H2.
What are the key properties of [6-(hydroxymethyl)naphthalen-2-yl]methanol?
[6-(hydroxymethyl)naphthalen-2-yl]methanol has a molecular weight of 188.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)naphthalen-2-yl]methanol is sourced from PubChem (CID 11788722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).