2-(3,4-dihydronaphthalen-1-yl)butan-1-ol

C14H18O — CID 101148669

IUPAC2-(3,4-dihydronaphthalen-1-yl)butan-1-ol
SMILESCCC(CO)C1=CCCc2ccccc21
InChIInChI=1S/C14H18O/c1-2-11(10-15)13-9-5-7-12-6-3-4-8-14(12)13/h3-4,6,8-9,11,15H,2,5,7,10H2,1H3
InChIKeyYDTNEAOHDKMGFS-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.03
Rot. Bonds3

About 2-(3,4-dihydronaphthalen-1-yl)butan-1-ol

2-(3,4-dihydronaphthalen-1-yl)butan-1-ol (PubChem CID 101148669) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(3,4-dihydronaphthalen-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(3,4-dihydronaphthalen-1-yl)butan-1-ol
PubChem CID101148669
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-(3,4-dihydronaphthalen-1-yl)butan-1-ol
SMILESCCC(CO)C1=CCCc2ccccc21
InChIInChI=1S/C14H18O/c1-2-11(10-15)13-9-5-7-12-6-3-4-8-14(12)13/h3-4,6,8-9,11,15H,2,5,7,10H2,1H3
InChIKeyYDTNEAOHDKMGFS-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydronaphthalen-1-yl)butan-1-ol?
The IUPAC name of 2-(3,4-dihydronaphthalen-1-yl)butan-1-ol (CID 101148669) is 2-(3,4-dihydronaphthalen-1-yl)butan-1-ol.
What is the SMILES notation for 2-(3,4-dihydronaphthalen-1-yl)butan-1-ol?
The canonical SMILES for 2-(3,4-dihydronaphthalen-1-yl)butan-1-ol is CCC(CO)C1=CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydronaphthalen-1-yl)butan-1-ol?
The InChIKey is YDTNEAOHDKMGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-2-11(10-15)13-9-5-7-12-6-3-4-8-14(12)13/h3-4,6,8-9,11,15H,2,5,7,10H2,1H3.
What are the key properties of 2-(3,4-dihydronaphthalen-1-yl)butan-1-ol?
2-(3,4-dihydronaphthalen-1-yl)butan-1-ol has a molecular weight of 202.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydronaphthalen-1-yl)butan-1-ol is sourced from PubChem (CID 101148669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).