2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol

C18H19NO2 — CID 81436881

IUPAC2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(C)(O)c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C18H19NO2/c1-18(20,12-13-3-6-16(21-2)7-4-13)15-5-8-17-14(11-15)9-10-19-17/h3-11,19-20H,12H2,1-2H3
InChIKeyGDQHXSLGMBPXIH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.63
Rot. Bonds4

About 2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol

2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol (PubChem CID 81436881) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
PubChem CID81436881
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(C)(O)c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C18H19NO2/c1-18(20,12-13-3-6-16(21-2)7-4-13)15-5-8-17-14(11-15)9-10-19-17/h3-11,19-20H,12H2,1-2H3
InChIKeyGDQHXSLGMBPXIH-UHFFFAOYSA-N
XLogP3.63
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
1-(1H-indol-5-yl)-2-methylpropan-2-ol
CID 117119070
2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol
CID 63273431
2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833150
5-(4-methoxyphenoxy)-1H-indole
CID 19042832
1-(4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 55169667
2-(1H-indol-5-yl)-2-methylpropan-1-amine
CID 116996128
1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol
CID 81444906
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine
CID 110455031
3-(1H-indol-5-yl)-2-methylpentan-3-ol
CID 81444815
2-(4-methoxyphenyl)butan-2-ol
CID 10307904

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol (CID 81436881) is 2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol is COc1ccc(CC(C)(O)c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
The InChIKey is GDQHXSLGMBPXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(20,12-13-3-6-16(21-2)7-4-13)15-5-8-17-14(11-15)9-10-19-17/h3-11,19-20H,12H2,1-2H3.
What are the key properties of 2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol has a molecular weight of 281.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 81436881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).