(1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol

C16H14BrFO — CID 122578704

IUPAC(1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol
SMILESCc1ccc(F)c(-c2ccc3c(c2Br)CC[C@@H]3O)c1
InChIInChI=1S/C16H14BrFO/c1-9-2-6-14(18)13(8-9)12-4-3-10-11(16(12)17)5-7-15(10)19/h2-4,6,8,15,19H,5,7H2,1H3/t15-/m0/s1
InChIKeyHEEDTYXPWMMTEQ-HNNXBMFYSA-N
MW321.19 g/mol
LogP4.54
Rot. Bonds1

About (1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol

(1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 122578704) has the molecular formula C16H14BrFO and a molecular weight of 321.19 g/mol. Its IUPAC name is (1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID122578704
Molecular FormulaC16H14BrFO
Molecular Weight321.19 g/mol
Exact Mass320.02
IUPAC Name(1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol
SMILESCc1ccc(F)c(-c2ccc3c(c2Br)CC[C@@H]3O)c1
InChIInChI=1S/C16H14BrFO/c1-9-2-6-14(18)13(8-9)12-4-3-10-11(16(12)17)5-7-15(10)19/h2-4,6,8,15,19H,5,7H2,1H3/t15-/m0/s1
InChIKeyHEEDTYXPWMMTEQ-HNNXBMFYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-1-indanol
CID 13330208
(1R)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915875
4-Bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59493116
(1S)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915874
7-Bromo-2,3-dihydro-1H-inden-1-ol
CID 58306680
(6-bromo-2,3-dihydro-1H-inden-5-yl)methanol
CID 155978340
[5-Bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol
CID 138965301
(E,1S)-3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-ol
CID 138977711
(2-((3-Bromophenyl)difluoromethyl)-4,5-dimethylphenyl)methanol
CID 139592636
1-(1-Bromo-2-naphthyl)ethanol
CID 67247455
2,7-dibromo-4-fluoro-9H-fluoren-9-ol
CID 267237
3-(4'-Fluorophenyl)-6-methyl-1-indanol
CID 13154734

Frequently Asked Questions

What is the IUPAC name of (1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol (CID 122578704) is (1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol is Cc1ccc(F)c(-c2ccc3c(c2Br)CC[C@@H]3O)c1.
What is the InChIKey of (1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is HEEDTYXPWMMTEQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14BrFO/c1-9-2-6-14(18)13(8-9)12-4-3-10-11(16(12)17)5-7-15(10)19/h2-4,6,8,15,19H,5,7H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol?
(1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 321.19 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-bromo-5-(2-fluoro-5-methylphenyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 122578704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).