2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol

C14H17NO3 — CID 141337825

IUPAC2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol
SMILESCOc1ccc(-c2cc(CCO)c[nH]2)cc1OC
InChIInChI=1S/C14H17NO3/c1-17-13-4-3-11(8-14(13)18-2)12-7-10(5-6-16)9-15-12/h3-4,7-9,15-16H,5-6H2,1-2H3
InChIKeyOKERGZQMHHSUSB-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.23
Rot. Bonds5

About 2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol

2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol (PubChem CID 141337825) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol
PubChem CID141337825
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol
SMILESCOc1ccc(-c2cc(CCO)c[nH]2)cc1OC
InChIInChI=1S/C14H17NO3/c1-17-13-4-3-11(8-14(13)18-2)12-7-10(5-6-16)9-15-12/h3-4,7-9,15-16H,5-6H2,1-2H3
InChIKeyOKERGZQMHHSUSB-UHFFFAOYSA-N
XLogP2.23
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methoxytryptophol
CID 12835
5-Benzyloxy-3-(2-hydroxyethyl)indole
CID 744849
5,6-Dimethoxyindole
CID 84431
(3,4-Dimethoxy-benzyl)-pyridin-4-ylmethyl-amine hydrochloride
CID 24746772
3-(4-Butoxy-phenyl)-1H-pyrrole
CID 11218177
6-Benzyloxy-5-methoxyindole
CID 17051
5-(2-methoxyethoxy)-1H-indole
CID 10352537
2-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 1618543
1-[(3,4-dimethoxyphenethyl)amino]-3-(1H-indol-1-yl)propan-2-ol
CID 2795649
2-[2-(3,4-Dimethoxyphenyl)ethyl]pyridine
CID 155550591
2-Methoxy-5-[1-(2-methyl-4-pyridinyl)ethenyl]phenol
CID 162668752
[2-(3,4-Dimethoxy-phenyl)-ethyl]-(1-methyl-1H-pyrrol-2-ylmethyl)-amine hydrochloride
CID 23724396

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol (CID 141337825) is 2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol is COc1ccc(-c2cc(CCO)c[nH]2)cc1OC.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol?
The InChIKey is OKERGZQMHHSUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-13-4-3-11(8-14(13)18-2)12-7-10(5-6-16)9-15-12/h3-4,7-9,15-16H,5-6H2,1-2H3.
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol?
2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol has a molecular weight of 247.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]ethanol is sourced from PubChem (CID 141337825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).