(3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol

C16H14BrNO2 — CID 81444992

IUPAC(3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol
SMILESCOc1ccc(C(O)c2ccc3[nH]ccc3c2)cc1Br
InChIInChI=1S/C16H14BrNO2/c1-20-15-5-3-12(9-13(15)17)16(19)11-2-4-14-10(8-11)6-7-18-14/h2-9,16,18-19H,1H3
InChIKeyVCAAEZKTXKRKAI-UHFFFAOYSA-N
MW332.20 g/mol
LogP4.02
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol

(3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol (PubChem CID 81444992) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol
PubChem CID81444992
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name(3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol
SMILESCOc1ccc(C(O)c2ccc3[nH]ccc3c2)cc1Br
InChIInChI=1S/C16H14BrNO2/c1-20-15-5-3-12(9-13(15)17)16(19)11-2-4-14-10(8-11)6-7-18-14/h2-9,16,18-19H,1H3
InChIKeyVCAAEZKTXKRKAI-UHFFFAOYSA-N
XLogP4.02
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(1H-indol-5-yl)methanol
CID 81444916
1H-indol-5-yl-(3-methoxyphenyl)methanol
CID 81444817
(4-fluorophenyl)-(1H-indol-5-yl)methanol
CID 81444818
1H-indol-5-yl(phenyl)methanol
CID 19042833
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol
CID 81437182
(3-fluoro-4-methylphenyl)-(1H-indol-5-yl)methanol
CID 81444351
(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 61100814
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol (CID 81444992) is (3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol is COc1ccc(C(O)c2ccc3[nH]ccc3c2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol?
The InChIKey is VCAAEZKTXKRKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-20-15-5-3-12(9-13(15)17)16(19)11-2-4-14-10(8-11)6-7-18-14/h2-9,16,18-19H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol?
(3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol has a molecular weight of 332.20 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol is sourced from PubChem (CID 81444992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).