naphthalen-1-ylmethanol

C11H10O — CID 20908

IUPACnaphthalen-1-ylmethanol
SMILESOCc1cccc2ccccc12
InChIInChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2
InChIKeyPBLNHHSDYFYZNC-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.33
Rot. Bonds1

About naphthalen-1-ylmethanol

naphthalen-1-ylmethanol (PubChem CID 20908) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is naphthalen-1-ylmethanol.

Molecular Properties

Compound Namenaphthalen-1-ylmethanol
PubChem CID20908
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Namenaphthalen-1-ylmethanol
SMILESOCc1cccc2ccccc12
InChIInChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2
InChIKeyPBLNHHSDYFYZNC-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethanol?
The IUPAC name of naphthalen-1-ylmethanol (CID 20908) is naphthalen-1-ylmethanol.
What is the SMILES notation for naphthalen-1-ylmethanol?
The canonical SMILES for naphthalen-1-ylmethanol is OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethanol?
The InChIKey is PBLNHHSDYFYZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2.
What are the key properties of naphthalen-1-ylmethanol?
naphthalen-1-ylmethanol has a molecular weight of 158.20 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethanol is sourced from PubChem (CID 20908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).