[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol

C14H17NO2 — CID 39247985

IUPAC[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol
SMILESCOc1ccccc1-n1c(C)cc(CO)c1C
InChIInChI=1S/C14H17NO2/c1-10-8-12(9-16)11(2)15(10)13-6-4-5-7-14(13)17-3/h4-8,16H,9H2,1-3H3
InChIKeyHRVLGIXGLGLWAT-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.60
Rot. Bonds3

About [1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol

[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol (PubChem CID 39247985) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol
PubChem CID39247985
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol
SMILESCOc1ccccc1-n1c(C)cc(CO)c1C
InChIInChI=1S/C14H17NO2/c1-10-8-12(9-16)11(2)15(10)13-6-4-5-7-14(13)17-3/h4-8,16H,9H2,1-3H3
InChIKeyHRVLGIXGLGLWAT-UHFFFAOYSA-N
XLogP2.60
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine
CID 50850667
1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one
CID 123307506
1-(3-methoxyphenyl)-3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea
CID 20928656
(3S,7R)-2-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211401
methyl 3-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylcarbamoylamino]benzoate
CID 20928699
1-[2-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one
CID 79884766
(2-(111C)methoxyphenyl)methanol
CID 59897789
[1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine
CID 66523707
1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 12596963
2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid
CID 3471470
2-[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
CID 39379121
2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
CID 39373267

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol?
The IUPAC name of [1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol (CID 39247985) is [1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol.
What is the SMILES notation for [1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol?
The canonical SMILES for [1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol is COc1ccccc1-n1c(C)cc(CO)c1C.
What is the InChIKey of [1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol?
The InChIKey is HRVLGIXGLGLWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-8-12(9-16)11(2)15(10)13-6-4-5-7-14(13)17-3/h4-8,16H,9H2,1-3H3.
What are the key properties of [1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol?
[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol has a molecular weight of 231.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol is sourced from PubChem (CID 39247985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).