3-naphthalen-1-ylpropan-1-ol

C13H14O — CID 14711518

IUPAC3-naphthalen-1-ylpropan-1-ol
SMILESOCCCc1cccc2ccccc12
InChIInChI=1S/C13H14O/c14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9,14H,4,8,10H2
InChIKeyLSYAESHKCVOHFC-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.76
Rot. Bonds3

About 3-naphthalen-1-ylpropan-1-ol

3-naphthalen-1-ylpropan-1-ol (PubChem CID 14711518) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-naphthalen-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-naphthalen-1-ylpropan-1-ol
PubChem CID14711518
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name3-naphthalen-1-ylpropan-1-ol
SMILESOCCCc1cccc2ccccc12
InChIInChI=1S/C13H14O/c14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9,14H,4,8,10H2
InChIKeyLSYAESHKCVOHFC-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-naphthalen-1-ylethanol
CID 145119048
3-(5-sulfanylnaphthalen-1-yl)propan-1-ol
CID 68643622
4-tetracen-1-ylbutan-1-ol
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1-(4-fluorobutyl)naphthalene
CID 174977280
1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 139748426
1-butylnaphthalene;ethane
CID 142087052
2-chrysen-1-ylethanol
CID 87369772
azane;1-butylnaphthalene;methane
CID 174691035
8-naphthalen-1-yloctan-1-amine
CID 100987116
1-tetradecylnaphthalene
CID 14402128
1-(4-methylpent-4-enyl)naphthalene
CID 146002701
(2-naphthalen-1-ylethylamino)methanol
CID 115229403

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylpropan-1-ol?
The IUPAC name of 3-naphthalen-1-ylpropan-1-ol (CID 14711518) is 3-naphthalen-1-ylpropan-1-ol.
What is the SMILES notation for 3-naphthalen-1-ylpropan-1-ol?
The canonical SMILES for 3-naphthalen-1-ylpropan-1-ol is OCCCc1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-ylpropan-1-ol?
The InChIKey is LSYAESHKCVOHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9,14H,4,8,10H2.
What are the key properties of 3-naphthalen-1-ylpropan-1-ol?
3-naphthalen-1-ylpropan-1-ol has a molecular weight of 186.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylpropan-1-ol is sourced from PubChem (CID 14711518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).