3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol

C14H19NO2 — CID 82496131

IUPAC3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
SMILESCOc1ccc(C)c2c(CCCO)c(C)[nH]c12
InChIInChI=1S/C14H19NO2/c1-9-6-7-12(17-3)14-13(9)11(5-4-8-16)10(2)15-14/h6-7,15-16H,4-5,8H2,1-3H3
InChIKeyOHYGCRNKMPKIKS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.72
Rot. Bonds4

About 3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol

3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol (PubChem CID 82496131) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
PubChem CID82496131
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
SMILESCOc1ccc(C)c2c(CCCO)c(C)[nH]c12
InChIInChI=1S/C14H19NO2/c1-9-6-7-12(17-3)14-13(9)11(5-4-8-16)10(2)15-14/h6-7,15-16H,4-5,8H2,1-3H3
InChIKeyOHYGCRNKMPKIKS-UHFFFAOYSA-N
XLogP2.72
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 105472778
(7-methoxy-3,4-dimethyl-1H-indol-2-yl)methanol
CID 84620551
3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol
CID 117305992
3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine
CID 82393603
3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
CID 117322230
3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine
CID 96678727
4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84638531
1-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)-N-methylmethanamine
CID 82496369
2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-2-amine
CID 84627124
2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol
CID 67987205
2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82495069
2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82500844

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol?
The IUPAC name of 3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol (CID 82496131) is 3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol?
The canonical SMILES for 3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol is COc1ccc(C)c2c(CCCO)c(C)[nH]c12.
What is the InChIKey of 3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol?
The InChIKey is OHYGCRNKMPKIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-6-7-12(17-3)14-13(9)11(5-4-8-16)10(2)15-14/h6-7,15-16H,4-5,8H2,1-3H3.
What are the key properties of 3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol?
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol is sourced from PubChem (CID 82496131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).