2-[(3-methoxyphenyl)methyl]-1H-pyrrole

C12H13NO — CID 12872045

IUPAC2-[(3-methoxyphenyl)methyl]-1H-pyrrole
SMILESCOc1cccc(Cc2ccc[nH]2)c1
InChIInChI=1S/C12H13NO/c1-14-12-6-2-4-10(9-12)8-11-5-3-7-13-11/h2-7,9,13H,8H2,1H3
InChIKeyORYHQWGRLUJRAO-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.61
Rot. Bonds3

About 2-[(3-methoxyphenyl)methyl]-1H-pyrrole

2-[(3-methoxyphenyl)methyl]-1H-pyrrole (PubChem CID 12872045) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-1H-pyrrole
PubChem CID12872045
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-[(3-methoxyphenyl)methyl]-1H-pyrrole
SMILESCOc1cccc(Cc2ccc[nH]2)c1
InChIInChI=1S/C12H13NO/c1-14-12-6-2-4-10(9-12)8-11-5-3-7-13-11/h2-7,9,13H,8H2,1H3
InChIKeyORYHQWGRLUJRAO-UHFFFAOYSA-N
XLogP2.61
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one
CID 118471216
5-methoxy-2-[(3-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 65483071
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
(3-methoxyphenyl)(113C)methanol
CID 11593446
(3-methoxyphenyl)methanethiol
CID 10749403
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
1-methoxy-3-propylbenzene
CID 14270128
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine
CID 17221716
4-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride
CID 82375199

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-1H-pyrrole (CID 12872045) is 2-[(3-methoxyphenyl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-1H-pyrrole is COc1cccc(Cc2ccc[nH]2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-1H-pyrrole?
The InChIKey is ORYHQWGRLUJRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-14-12-6-2-4-10(9-12)8-11-5-3-7-13-11/h2-7,9,13H,8H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-1H-pyrrole?
2-[(3-methoxyphenyl)methyl]-1H-pyrrole has a molecular weight of 187.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-1H-pyrrole is sourced from PubChem (CID 12872045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).