2,3,3a,4-tetrahydro-1H-inden-1-ol

C9H12O — CID 70275918

IUPAC2,3,3a,4-tetrahydro-1H-inden-1-ol
SMILESOC1CCC2CC=CC=C12
InChIInChI=1S/C9H12O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-2,4,7,9-10H,3,5-6H2
InChIKeyBVQCHSGOGQNJGH-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.64
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-inden-1-ol

2,3,3a,4-tetrahydro-1H-inden-1-ol (PubChem CID 70275918) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-inden-1-ol.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-inden-1-ol
PubChem CID70275918
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2,3,3a,4-tetrahydro-1H-inden-1-ol
SMILESOC1CCC2CC=CC=C12
InChIInChI=1S/C9H12O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-2,4,7,9-10H,3,5-6H2
InChIKeyBVQCHSGOGQNJGH-UHFFFAOYSA-N
XLogP1.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-inden-1-ol?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-inden-1-ol (CID 70275918) is 2,3,3a,4-tetrahydro-1H-inden-1-ol.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-inden-1-ol?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-inden-1-ol is OC1CCC2CC=CC=C12.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-inden-1-ol?
The InChIKey is BVQCHSGOGQNJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-2,4,7,9-10H,3,5-6H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-inden-1-ol?
2,3,3a,4-tetrahydro-1H-inden-1-ol has a molecular weight of 136.19 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-inden-1-ol is sourced from PubChem (CID 70275918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).