3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol

C13H18O — CID 67879898

IUPAC3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol
SMILESOCCCC1CCc2ccccc2C1
InChIInChI=1S/C13H18O/c14-9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h1-2,5-6,11,14H,3-4,7-10H2
InChIKeyBNGKFCFWRLGQPD-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.56
Rot. Bonds3

About 3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol

3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol (PubChem CID 67879898) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol
PubChem CID67879898
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol
SMILESOCCCC1CCc2ccccc2C1
InChIInChI=1S/C13H18O/c14-9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h1-2,5-6,11,14H,3-4,7-10H2
InChIKeyBNGKFCFWRLGQPD-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol?
The IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol (CID 67879898) is 3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol?
The canonical SMILES for 3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol is OCCCC1CCc2ccccc2C1.
What is the InChIKey of 3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol?
The InChIKey is BNGKFCFWRLGQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c14-9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h1-2,5-6,11,14H,3-4,7-10H2.
What are the key properties of 3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol?
3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol is sourced from PubChem (CID 67879898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).