2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone

C11H12O3 — CID 14913085

IUPAC2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone
SMILESO=C(CO)C1(O)Cc2ccccc2C1
InChIInChI=1S/C11H12O3/c12-7-10(13)11(14)5-8-3-1-2-4-9(8)6-11/h1-4,12,14H,5-7H2
InChIKeyCUNROZYGWGKFHT-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.08
Rot. Bonds2

About 2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone

2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone (PubChem CID 14913085) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone
PubChem CID14913085
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone
SMILESO=C(CO)C1(O)Cc2ccccc2C1
InChIInChI=1S/C11H12O3/c12-7-10(13)11(14)5-8-3-1-2-4-9(8)6-11/h1-4,12,14H,5-7H2
InChIKeyCUNROZYGWGKFHT-UHFFFAOYSA-N
XLogP0.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(cyclopropylmethyl)-2-hydroxy-1,3-dihydroindene-2-carboxamide
CID 102602959
2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone
CID 11010958
(2,6-dimethylthiomorpholin-4-yl)-(2-hydroxy-1,3-dihydroinden-2-yl)methanone
CID 71866663
2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide
CID 91631163
2-(hydroxymethyl)-1,3-dihydroindene-2-carbaldehyde
CID 126997325
1-(1-hydroxy-2,2-dimethyl-3H-inden-1-yl)propan-1-one
CID 12992269
1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one
CID 83226402
2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid
CID 65407568
ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate
CID 62393323
methyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate
CID 62394007
2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 82236410
N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 139005789

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone (CID 14913085) is 2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone is O=C(CO)C1(O)Cc2ccccc2C1.
What is the InChIKey of 2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone?
The InChIKey is CUNROZYGWGKFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-7-10(13)11(14)5-8-3-1-2-4-9(8)6-11/h1-4,12,14H,5-7H2.
What are the key properties of 2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone?
2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone has a molecular weight of 192.21 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone is sourced from PubChem (CID 14913085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).