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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Related Compounds

7-(3,4-dihydronaphthalen-1-yl)-1-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-cyclohexane]-1'-ylidenenonan-2-one
CID 142894079
(2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol
CID 102513360
2-(3,4-dihydronaphthalen-1-yl)propyl benzoate
CID 12045245
4-(fluoromethyl)-1,2-dihydronaphthalene
CID 70203270
ethane;4-methyl-1,2-dihydronaphthalene
CID 91604572
3,4-dihydronaphthalen-1-yloxy-ethyl-dimethyl-λ4-sulfane
CID 144517002
3,4-dihydronaphthalen-1-ylmethanamine;ethane
CID 91513881
4-butoxy-1,2-dihydronaphthalene
CID 123157654
2-(cyclopenten-1-yl)butan-1-ol
CID 70396066
bis(3,4-dihydronaphthalen-1-yl)methanone
CID 174839163
(5-propan-2-yl-7,8-dihydronaphthalen-2-yl)methanol
CID 70827641
N-(3,4-dihydronaphthalen-1-yl)acetamide
CID 10176439

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).