3-benzylnaphthalen-1-ol

C17H14O — CID 11139055

IUPAC3-benzylnaphthalen-1-ol
SMILESOc1cc(Cc2ccccc2)cc2ccccc12
InChIInChI=1S/C17H14O/c18-17-12-14(10-13-6-2-1-3-7-13)11-15-8-4-5-9-16(15)17/h1-9,11-12,18H,10H2
InChIKeyFSIJBIUONPSYQC-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.14
Rot. Bonds2

About 3-benzylnaphthalen-1-ol

3-benzylnaphthalen-1-ol (PubChem CID 11139055) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-benzylnaphthalen-1-ol.

Molecular Properties

Compound Name3-benzylnaphthalen-1-ol
PubChem CID11139055
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name3-benzylnaphthalen-1-ol
SMILESOc1cc(Cc2ccccc2)cc2ccccc12
InChIInChI=1S/C17H14O/c18-17-12-14(10-13-6-2-1-3-7-13)11-15-8-4-5-9-16(15)17/h1-9,11-12,18H,10H2
InChIKeyFSIJBIUONPSYQC-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzylnaphthalen-1-ol?
The IUPAC name of 3-benzylnaphthalen-1-ol (CID 11139055) is 3-benzylnaphthalen-1-ol.
What is the SMILES notation for 3-benzylnaphthalen-1-ol?
The canonical SMILES for 3-benzylnaphthalen-1-ol is Oc1cc(Cc2ccccc2)cc2ccccc12.
What is the InChIKey of 3-benzylnaphthalen-1-ol?
The InChIKey is FSIJBIUONPSYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c18-17-12-14(10-13-6-2-1-3-7-13)11-15-8-4-5-9-16(15)17/h1-9,11-12,18H,10H2.
What are the key properties of 3-benzylnaphthalen-1-ol?
3-benzylnaphthalen-1-ol has a molecular weight of 234.30 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylnaphthalen-1-ol is sourced from PubChem (CID 11139055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).