[4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol

C17H22BrNO2 — CID 164567972

IUPAC[4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol
SMILESCOc1cc2c(cc1Br)cc(C1CCC(CO)CC1)n2C
InChIInChI=1S/C17H22BrNO2/c1-19-15(12-5-3-11(10-20)4-6-12)8-13-7-14(18)17(21-2)9-16(13)19/h7-9,11-12,20H,3-6,10H2,1-2H3
InChIKeyOFRQTLHULFKHEG-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.22
Rot. Bonds3

About [4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol

[4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol (PubChem CID 164567972) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is [4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol
PubChem CID164567972
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name[4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol
SMILESCOc1cc2c(cc1Br)cc(C1CCC(CO)CC1)n2C
InChIInChI=1S/C17H22BrNO2/c1-19-15(12-5-3-11(10-20)4-6-12)8-13-7-14(18)17(21-2)9-16(13)19/h7-9,11-12,20H,3-6,10H2,1-2H3
InChIKeyOFRQTLHULFKHEG-UHFFFAOYSA-N
XLogP4.22
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-5-methoxy-1,2-dimethylindole
CID 933997
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol
CID 103726655
6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole
CID 84639752
(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088442
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxy-3-methylbenzimidazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide
CID 170693388
2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol
CID 62356314
[4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol
CID 164566999
(3S)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530937
(3R)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530938
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672717
2-bromo-4-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-6-methoxyphenol
CID 30842642
cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine
CID 159114657

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol?
The IUPAC name of [4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol (CID 164567972) is [4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol.
What is the SMILES notation for [4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol?
The canonical SMILES for [4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol is COc1cc2c(cc1Br)cc(C1CCC(CO)CC1)n2C.
What is the InChIKey of [4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol?
The InChIKey is OFRQTLHULFKHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-19-15(12-5-3-11(10-20)4-6-12)8-13-7-14(18)17(21-2)9-16(13)19/h7-9,11-12,20H,3-6,10H2,1-2H3.
What are the key properties of [4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol?
[4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol has a molecular weight of 352.27 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-6-methoxy-1-methylindol-2-yl)cyclohexyl]methanol is sourced from PubChem (CID 164567972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).