1-bromo-2-methyl-1,3-dihydroinden-2-ol

C10H11BrO — CID 174888924

IUPAC1-bromo-2-methyl-1,3-dihydroinden-2-ol
SMILESCC1(O)Cc2ccccc2C1Br
InChIInChI=1S/C10H11BrO/c1-10(12)6-7-4-2-3-5-8(7)9(10)11/h2-5,9,12H,6H2,1H3
InChIKeyAHKXHXSQASPPSU-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.43
Rot. Bonds

About 1-bromo-2-methyl-1,3-dihydroinden-2-ol

1-bromo-2-methyl-1,3-dihydroinden-2-ol (PubChem CID 174888924) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 1-bromo-2-methyl-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name1-bromo-2-methyl-1,3-dihydroinden-2-ol
PubChem CID174888924
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name1-bromo-2-methyl-1,3-dihydroinden-2-ol
SMILESCC1(O)Cc2ccccc2C1Br
InChIInChI=1S/C10H11BrO/c1-10(12)6-7-4-2-3-5-8(7)9(10)11/h2-5,9,12H,6H2,1H3
InChIKeyAHKXHXSQASPPSU-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene
CID 12522307
2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
CID 162431044
3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol
CID 10728752
2,2-dimethyl-1,3-dihydroinden-1-amine
CID 22175144
(1R,2R)-1,2-dichloro-2-methyl-1,3-dihydroindene
CID 146168714
N,3,3-trimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 84618813
(1R,2R)-1-methyl-2-phenyl-1,3-dihydroinden-2-ol
CID 14449205
(1aS,7bR)-2,2-dimethyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene
CID 11062908
spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ol
CID 13300016
(1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol
CID 138485256
(6aR,11bS)-5,6,7,11b-tetrahydroindeno[2,1-c]quinolin-6a-ol
CID 135017650
(1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol
CID 138485254

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methyl-1,3-dihydroinden-2-ol?
The IUPAC name of 1-bromo-2-methyl-1,3-dihydroinden-2-ol (CID 174888924) is 1-bromo-2-methyl-1,3-dihydroinden-2-ol.
What is the SMILES notation for 1-bromo-2-methyl-1,3-dihydroinden-2-ol?
The canonical SMILES for 1-bromo-2-methyl-1,3-dihydroinden-2-ol is CC1(O)Cc2ccccc2C1Br.
What is the InChIKey of 1-bromo-2-methyl-1,3-dihydroinden-2-ol?
The InChIKey is AHKXHXSQASPPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-10(12)6-7-4-2-3-5-8(7)9(10)11/h2-5,9,12H,6H2,1H3.
What are the key properties of 1-bromo-2-methyl-1,3-dihydroinden-2-ol?
1-bromo-2-methyl-1,3-dihydroinden-2-ol has a molecular weight of 227.10 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methyl-1,3-dihydroinden-2-ol is sourced from PubChem (CID 174888924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).