1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol

C16H21NO2 — CID 79109053

IUPAC1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(Cc2ccccc2OC)c1
InChIInChI=1S/C16H21NO2/c1-3-6-15(18)13-9-10-17(11-13)12-14-7-4-5-8-16(14)19-2/h4-5,7-11,15,18H,3,6,12H2,1-2H3
InChIKeySIUVQZLRPPVDQZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.38
Rot. Bonds6

About 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol

1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol (PubChem CID 79109053) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol
PubChem CID79109053
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(Cc2ccccc2OC)c1
InChIInChI=1S/C16H21NO2/c1-3-6-15(18)13-9-10-17(11-13)12-14-7-4-5-8-16(14)19-2/h4-5,7-11,15,18H,3,6,12H2,1-2H3
InChIKeySIUVQZLRPPVDQZ-UHFFFAOYSA-N
XLogP3.38
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109675
N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108905
1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol
CID 79109993
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79097214
cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine
CID 79104344
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105735
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 106865848
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol
CID 82895596
1-[(2-methoxyphenyl)methyl]pyrrole-3-carbaldehyde
CID 66409449
2-[[3-(1-hydroxypropyl)pyrrol-1-yl]methyl]benzonitrile
CID 79105114
1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol
CID 69097467
1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]butan-1-ol
CID 114526149

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol?
The IUPAC name of 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol (CID 79109053) is 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol?
The canonical SMILES for 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol is CCCC(O)c1ccn(Cc2ccccc2OC)c1.
What is the InChIKey of 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol?
The InChIKey is SIUVQZLRPPVDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-6-15(18)13-9-10-17(11-13)12-14-7-4-5-8-16(14)19-2/h4-5,7-11,15,18H,3,6,12H2,1-2H3.
What are the key properties of 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol?
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol is sourced from PubChem (CID 79109053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).