[2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol

C16H13BrClNO — CID 172561146

IUPAC[2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol
SMILESCc1c(Br)cccc1-c1cc2cc(CO)cc(Cl)c2[nH]1
InChIInChI=1S/C16H13BrClNO/c1-9-12(3-2-4-13(9)17)15-7-11-5-10(8-20)6-14(18)16(11)19-15/h2-7,19-20H,8H2,1H3
InChIKeyDXMOPABUGIHRBG-UHFFFAOYSA-N
MW350.64 g/mol
LogP5.05
Rot. Bonds2

About [2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol

[2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol (PubChem CID 172561146) has the molecular formula C16H13BrClNO and a molecular weight of 350.64 g/mol. Its IUPAC name is [2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol
PubChem CID172561146
Molecular FormulaC16H13BrClNO
Molecular Weight350.64 g/mol
Exact Mass348.99
IUPAC Name[2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol
SMILESCc1c(Br)cccc1-c1cc2cc(CO)cc(Cl)c2[nH]1
InChIInChI=1S/C16H13BrClNO/c1-9-12(3-2-4-13(9)17)15-7-11-5-10(8-20)6-14(18)16(11)19-15/h2-7,19-20H,8H2,1H3
InChIKeyDXMOPABUGIHRBG-UHFFFAOYSA-N
XLogP5.05
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-2-methylphenyl)-7-chloro-1H-indole-5-carbaldehyde
CID 166666738
[4-amino-3-[(3-bromo-2-methylphenyl)iminomethyl]-5-chlorophenyl]methanol
CID 146342322
2-(2-bromophenyl)-5,7-dimethyl-1H-indole
CID 131886941
2-(2-chlorophenyl)-6,7-dimethyl-1H-indole
CID 131886906
7-bromo-2-(2,5-dimethylphenyl)-1H-indole
CID 131886878
[2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol
CID 162715061
[4-(3-bromo-2-methylphenyl)phenyl]methanamine
CID 140933850
3-(3-bromo-2-methylphenyl)-2-methylphenol
CID 167107181
4-bromo-2-(2-chlorophenyl)-1H-indole
CID 59689098
2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide
CID 159351234
[4-[(E)-2-(3-bromo-2-methylphenyl)ethenyl]-5-chloro-2-methoxyphenyl]methanol
CID 129020325
(3-bromo-6-chloro-2-methylphenyl)methanol
CID 131627541

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol?
The IUPAC name of [2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol (CID 172561146) is [2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol.
What is the SMILES notation for [2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol?
The canonical SMILES for [2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol is Cc1c(Br)cccc1-c1cc2cc(CO)cc(Cl)c2[nH]1.
What is the InChIKey of [2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol?
The InChIKey is DXMOPABUGIHRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO/c1-9-12(3-2-4-13(9)17)15-7-11-5-10(8-20)6-14(18)16(11)19-15/h2-7,19-20H,8H2,1H3.
What are the key properties of [2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol?
[2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol has a molecular weight of 350.64 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-2-methylphenyl)-7-chloro-1H-indol-5-yl]methanol is sourced from PubChem (CID 172561146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).