2-naphthalen-1-ylethanol

C12H12O — CID 13047

IUPAC2-naphthalen-1-ylethanol
SMILESOCCc1cccc2ccccc12
InChIInChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2
InChIKeyRXWNCMHRJCOWDK-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.37
Rot. Bonds2

About 2-naphthalen-1-ylethanol

2-naphthalen-1-ylethanol (PubChem CID 13047) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-naphthalen-1-ylethanol
PubChem CID13047
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name2-naphthalen-1-ylethanol
SMILESOCCc1cccc2ccccc12
InChIInChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2
InChIKeyRXWNCMHRJCOWDK-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylethanol?
The IUPAC name of 2-naphthalen-1-ylethanol (CID 13047) is 2-naphthalen-1-ylethanol.
What is the SMILES notation for 2-naphthalen-1-ylethanol?
The canonical SMILES for 2-naphthalen-1-ylethanol is OCCc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylethanol?
The InChIKey is RXWNCMHRJCOWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2.
What are the key properties of 2-naphthalen-1-ylethanol?
2-naphthalen-1-ylethanol has a molecular weight of 172.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylethanol is sourced from PubChem (CID 13047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).