[4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol

C12H16O2 — CID 12859168

IUPAC[4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
SMILESOCC1CCC(CO)c2ccccc21
InChIInChI=1S/C12H16O2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-4,9-10,13-14H,5-8H2
InChIKeyOSXXVQCGNFUTRP-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.63
Rot. Bonds2

About [4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol

[4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol (PubChem CID 12859168) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
PubChem CID12859168
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name[4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
SMILESOCC1CCC(CO)c2ccccc21
InChIInChI=1S/C12H16O2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-4,9-10,13-14H,5-8H2
InChIKeyOSXXVQCGNFUTRP-UHFFFAOYSA-N
XLogP1.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol (CID 12859168) is [4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol is OCC1CCC(CO)c2ccccc21.
What is the InChIKey of [4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
The InChIKey is OSXXVQCGNFUTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-4,9-10,13-14H,5-8H2.
What are the key properties of [4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
[4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol has a molecular weight of 192.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol is sourced from PubChem (CID 12859168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).