[1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol

C16H13BrFNO — CID 102912914

IUPAC[1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol
SMILESOCc1ccc2c(ccn2Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H13BrFNO/c17-14-3-2-13(15(18)8-14)9-19-6-5-12-7-11(10-20)1-4-16(12)19/h1-8,20H,9-10H2
InChIKeyCIEVSVZJAKFPRK-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.08
Rot. Bonds3

About [1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol

[1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol (PubChem CID 102912914) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is [1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol.

Molecular Properties

Compound Name[1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol
PubChem CID102912914
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name[1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol
SMILESOCc1ccc2c(ccn2Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H13BrFNO/c17-14-3-2-13(15(18)8-14)9-19-6-5-12-7-11(10-20)1-4-16(12)19/h1-8,20H,9-10H2
InChIKeyCIEVSVZJAKFPRK-UHFFFAOYSA-N
XLogP4.08
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-phenyl-1H-indol-3-yl)ethan-1-ol
CID 775713
(1-Benzyl-1h-indol-3-yl)methanol
CID 402633
2-(1H-indol-1-yl)-1-phenylethanol
CID 11842267
[1-(4-bromobenzyl)-1H-indol-3-yl]methanol
CID 15881523
[1-[[3-(Trifluoromethyl)phenyl]methyl]indol-3-yl]methanol
CID 16738801
[1-[(4-Fluorophenyl)methyl]indol-3-yl]methanol
CID 15312694
[1-[(3-Bromophenyl)methyl]indol-3-yl]methanol
CID 15881522
[1-[(3-Methylphenyl)methyl]indol-3-yl]methanol
CID 17604207
[1-[(3-Fluorophenyl)methyl]indol-3-yl]methanol
CID 20109672
[1-[(3,4-Dibromophenyl)methyl]indol-3-yl]methanol
CID 52951094
[5-Fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
CID 52951101
{1-[4-(trifluoromethyl)benzyl]-1H-indol-3-yl}methanol
CID 52950960

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol?
The IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol (CID 102912914) is [1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol.
What is the SMILES notation for [1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol?
The canonical SMILES for [1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol is OCc1ccc2c(ccn2Cc2ccc(Br)cc2F)c1.
What is the InChIKey of [1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol?
The InChIKey is CIEVSVZJAKFPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c17-14-3-2-13(15(18)8-14)9-19-6-5-12-7-11(10-20)1-4-16(12)19/h1-8,20H,9-10H2.
What are the key properties of [1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol?
[1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol has a molecular weight of 334.19 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-2-fluorophenyl)methyl]indol-5-yl]methanol is sourced from PubChem (CID 102912914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).