4-naphthalen-1-ylbutan-1-ol

C14H16O — CID 14606563

IUPAC4-naphthalen-1-ylbutan-1-ol
SMILESOCCCCc1cccc2ccccc12
InChIInChI=1S/C14H16O/c15-11-4-3-7-13-9-5-8-12-6-1-2-10-14(12)13/h1-2,5-6,8-10,15H,3-4,7,11H2
InChIKeySELFFKLQHUSSNW-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.15
Rot. Bonds4

About 4-naphthalen-1-ylbutan-1-ol

4-naphthalen-1-ylbutan-1-ol (PubChem CID 14606563) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-naphthalen-1-ylbutan-1-ol.

Molecular Properties

Compound Name4-naphthalen-1-ylbutan-1-ol
PubChem CID14606563
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name4-naphthalen-1-ylbutan-1-ol
SMILESOCCCCc1cccc2ccccc12
InChIInChI=1S/C14H16O/c15-11-4-3-7-13-9-5-8-12-6-1-2-10-14(12)13/h1-2,5-6,8-10,15H,3-4,7,11H2
InChIKeySELFFKLQHUSSNW-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylbutan-1-ol?
The IUPAC name of 4-naphthalen-1-ylbutan-1-ol (CID 14606563) is 4-naphthalen-1-ylbutan-1-ol.
What is the SMILES notation for 4-naphthalen-1-ylbutan-1-ol?
The canonical SMILES for 4-naphthalen-1-ylbutan-1-ol is OCCCCc1cccc2ccccc12.
What is the InChIKey of 4-naphthalen-1-ylbutan-1-ol?
The InChIKey is SELFFKLQHUSSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c15-11-4-3-7-13-9-5-8-12-6-1-2-10-14(12)13/h1-2,5-6,8-10,15H,3-4,7,11H2.
What are the key properties of 4-naphthalen-1-ylbutan-1-ol?
4-naphthalen-1-ylbutan-1-ol has a molecular weight of 200.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylbutan-1-ol is sourced from PubChem (CID 14606563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).