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

C15H19NO3 — CID 79106730

IUPAC1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-2-yl]ethanol
SMILESCOc1ccc(Cn2cccc2C(C)O)cc1OC
InChIInChI=1S/C15H19NO3/c1-11(17)13-5-4-8-16(13)10-12-6-7-14(18-2)15(9-12)19-3/h4-9,11,17H,10H2,1-3H3
InChIKeyWSDZRRYEVAOOAA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.61
Rot. Bonds5

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

1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-2-yl]ethanol (PubChem CID 79106730) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-2-yl]ethanol
PubChem CID79106730
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-2-yl]ethanol
SMILESCOc1ccc(Cn2cccc2C(C)O)cc1OC
InChIInChI=1S/C15H19NO3/c1-11(17)13-5-4-8-16(13)10-12-6-7-14(18-2)15(9-12)19-3/h4-9,11,17H,10H2,1-3H3
InChIKeyWSDZRRYEVAOOAA-UHFFFAOYSA-N
XLogP2.61
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]pyrrole-2-carbaldehyde
CID 43555151
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol
CID 82895318
1-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole
CID 174871893
1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 3835157
1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol
CID 79107263
1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79109088
2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 79106416
1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 28516966
1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol
CID 79107600
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484402
(1S)-1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 63364724
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-2-yl]ethanol?
The IUPAC name of 1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-2-yl]ethanol (CID 79106730) is 1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-2-yl]ethanol?
The canonical SMILES for 1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-2-yl]ethanol is COc1ccc(Cn2cccc2C(C)O)cc1OC.
What is the InChIKey of 1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-2-yl]ethanol?
The InChIKey is WSDZRRYEVAOOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(17)13-5-4-8-16(13)10-12-6-7-14(18-2)15(9-12)19-3/h4-9,11,17H,10H2,1-3H3.
What are the key properties of 1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-2-yl]ethanol?
1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-2-yl]ethanol has a molecular weight of 261.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 79106730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).