(6-bromo-2,3-dihydro-1H-inden-5-yl)methanol

C10H11BrO — CID 155978340

IUPAC(6-bromo-2,3-dihydro-1H-inden-5-yl)methanol
SMILESOCc1cc2c(cc1Br)CCC2
InChIInChI=1S/C10H11BrO/c11-10-5-8-3-1-2-7(8)4-9(10)6-12/h4-5,12H,1-3,6H2
InChIKeySZALOIWKBWGXQN-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.43
Rot. Bonds1

About (6-bromo-2,3-dihydro-1H-inden-5-yl)methanol

(6-bromo-2,3-dihydro-1H-inden-5-yl)methanol (PubChem CID 155978340) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is (6-bromo-2,3-dihydro-1H-inden-5-yl)methanol.

Molecular Properties

Compound Name(6-bromo-2,3-dihydro-1H-inden-5-yl)methanol
PubChem CID155978340
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name(6-bromo-2,3-dihydro-1H-inden-5-yl)methanol
SMILESOCc1cc2c(cc1Br)CCC2
InChIInChI=1S/C10H11BrO/c11-10-5-8-3-1-2-7(8)4-9(10)6-12/h4-5,12H,1-3,6H2
InChIKeySZALOIWKBWGXQN-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

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Related Compounds

(3-Bromonaphthalen-2-yl)methanol
CID 264948
4-Bromo-1-indanol
CID 13330208
(3-Bromo-2-methylphenyl)methanol
CID 10035697
(1S)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414737
(4-Bromo-2-methylphenyl)methanol
CID 22280088
(1R)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414734
(1R)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915875
(4-Bromo-3,5-dimethylphenyl)methanol
CID 2727483
(3-Bromo-2,5-dimethylphenyl)methanol
CID 10656303
(5-Bromo-2-methylphenyl)methanol
CID 12993770
5-bromo-2,3-dihydro-1H-inden-1-ol
CID 13486299
7-Bromo-2-naphthalenemethanol
CID 22240133

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dihydro-1H-inden-5-yl)methanol?
The IUPAC name of (6-bromo-2,3-dihydro-1H-inden-5-yl)methanol (CID 155978340) is (6-bromo-2,3-dihydro-1H-inden-5-yl)methanol.
What is the SMILES notation for (6-bromo-2,3-dihydro-1H-inden-5-yl)methanol?
The canonical SMILES for (6-bromo-2,3-dihydro-1H-inden-5-yl)methanol is OCc1cc2c(cc1Br)CCC2.
What is the InChIKey of (6-bromo-2,3-dihydro-1H-inden-5-yl)methanol?
The InChIKey is SZALOIWKBWGXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c11-10-5-8-3-1-2-7(8)4-9(10)6-12/h4-5,12H,1-3,6H2.
What are the key properties of (6-bromo-2,3-dihydro-1H-inden-5-yl)methanol?
(6-bromo-2,3-dihydro-1H-inden-5-yl)methanol has a molecular weight of 227.10 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3-dihydro-1H-inden-5-yl)methanol is sourced from PubChem (CID 155978340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).