1-propan-2-ylnaphthalene

C13H14 — CID 22535

IUPAC1-propan-2-ylnaphthalene
SMILESCC(C)c1cccc2ccccc12
InChIInChI=1S/C13H14/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-10H,1-2H3
InChIKeyPMPBFICDXLLSRM-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.96
Rot. Bonds1

About 1-propan-2-ylnaphthalene

1-propan-2-ylnaphthalene (PubChem CID 22535) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1-propan-2-ylnaphthalene
PubChem CID22535
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name1-propan-2-ylnaphthalene
SMILESCC(C)c1cccc2ccccc12
InChIInChI=1S/C13H14/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-10H,1-2H3
InChIKeyPMPBFICDXLLSRM-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylnaphthalene?
The IUPAC name of 1-propan-2-ylnaphthalene (CID 22535) is 1-propan-2-ylnaphthalene.
What is the SMILES notation for 1-propan-2-ylnaphthalene?
The canonical SMILES for 1-propan-2-ylnaphthalene is CC(C)c1cccc2ccccc12.
What is the InChIKey of 1-propan-2-ylnaphthalene?
The InChIKey is PMPBFICDXLLSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-10H,1-2H3.
What are the key properties of 1-propan-2-ylnaphthalene?
1-propan-2-ylnaphthalene has a molecular weight of 170.25 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylnaphthalene is sourced from PubChem (CID 22535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).