1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol

C13H18O — CID 65409784

IUPAC1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol
SMILESCCCC(O)C1Cc2ccccc2C1
InChIInChI=1S/C13H18O/c1-2-5-13(14)12-8-10-6-3-4-7-11(10)9-12/h3-4,6-7,12-14H,2,5,8-9H2,1H3
InChIKeyGITMPHMDOPTHPQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.56
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol

1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol (PubChem CID 65409784) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol
PubChem CID65409784
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol
SMILESCCCC(O)C1Cc2ccccc2C1
InChIInChI=1S/C13H18O/c1-2-5-13(14)12-8-10-6-3-4-7-11(10)9-12/h3-4,6-7,12-14H,2,5,8-9H2,1H3
InChIKeyGITMPHMDOPTHPQ-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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Related Compounds

alpha-(2-Methylpropyl)benzeneethanol
CID 62661
Phenylisohexanol
CID 108312
Dimethyl phenylbutanol
CID 99870
2-Methyl-4-phenyl-1-pentanol
CID 3021997
2-Benzylheptan-1-ol
CID 64916
(2,5-Dimethyl-2,3-dihydro-1H-inden-2-yl)methanol
CID 11367306
9H-Fluorene-9-methanol
CID 90466
3-Deoxyestradiol
CID 228944
2-Indanol
CID 77936
Benzenepropanol, alpha,beta-dimethyl-
CID 92543
3-Methyl-1-phenylbutan-2-ol
CID 98019
2-Methyl-5-phenylpentanol
CID 5463791

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol (CID 65409784) is 1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol is CCCC(O)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol?
The InChIKey is GITMPHMDOPTHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-2-5-13(14)12-8-10-6-3-4-7-11(10)9-12/h3-4,6-7,12-14H,2,5,8-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol?
1-(2,3-dihydro-1H-inden-2-yl)butan-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 1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol is sourced from PubChem (CID 65409784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).