2-deuterio-1,3-dihydroinden-2-ol

C9H10O — CID 10606788

IUPAC2-deuterio-1,3-dihydroinden-2-ol
SMILES[2H]C1(O)Cc2ccccc2C1
InChIInChI=1S/C9H10O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2/i9D
InChIKeyKMGCKSAIIHOKCX-QOWOAITPSA-N
MW135.18 g/mol
LogP1.15
Rot. Bonds

About 2-deuterio-1,3-dihydroinden-2-ol

2-deuterio-1,3-dihydroinden-2-ol (PubChem CID 10606788) has the molecular formula C9H10O and a molecular weight of 135.18 g/mol. Its IUPAC name is 2-deuterio-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-deuterio-1,3-dihydroinden-2-ol
PubChem CID10606788
Molecular FormulaC9H10O
Molecular Weight135.18 g/mol
Exact Mass135.08
IUPAC Name2-deuterio-1,3-dihydroinden-2-ol
SMILES[2H]C1(O)Cc2ccccc2C1
InChIInChI=1S/C9H10O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2/i9D
InChIKeyKMGCKSAIIHOKCX-QOWOAITPSA-N
XLogP1.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-1,3-dihydroinden-2-ol?
The IUPAC name of 2-deuterio-1,3-dihydroinden-2-ol (CID 10606788) is 2-deuterio-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-deuterio-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-deuterio-1,3-dihydroinden-2-ol is [2H]C1(O)Cc2ccccc2C1.
What is the InChIKey of 2-deuterio-1,3-dihydroinden-2-ol?
The InChIKey is KMGCKSAIIHOKCX-QOWOAITPSA-N. The full InChI is InChI=1S/C9H10O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2/i9D.
What are the key properties of 2-deuterio-1,3-dihydroinden-2-ol?
2-deuterio-1,3-dihydroinden-2-ol has a molecular weight of 135.18 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-1,3-dihydroinden-2-ol is sourced from PubChem (CID 10606788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).