1-methyl-4-phenylmethoxypyrrol-2-ol

C12H13NO2 — CID 134892520

IUPAC1-methyl-4-phenylmethoxypyrrol-2-ol
SMILESCn1cc(OCc2ccccc2)cc1O
InChIInChI=1S/C12H13NO2/c1-13-8-11(7-12(13)14)15-9-10-5-3-2-4-6-10/h2-8,14H,9H2,1H3
InChIKeySVCHNYNYKSBGKF-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.31
Rot. Bonds3

About 1-methyl-4-phenylmethoxypyrrol-2-ol

1-methyl-4-phenylmethoxypyrrol-2-ol (PubChem CID 134892520) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-methyl-4-phenylmethoxypyrrol-2-ol.

Molecular Properties

Compound Name1-methyl-4-phenylmethoxypyrrol-2-ol
PubChem CID134892520
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-methyl-4-phenylmethoxypyrrol-2-ol
SMILESCn1cc(OCc2ccccc2)cc1O
InChIInChI=1S/C12H13NO2/c1-13-8-11(7-12(13)14)15-9-10-5-3-2-4-6-10/h2-8,14H,9H2,1H3
InChIKeySVCHNYNYKSBGKF-UHFFFAOYSA-N
XLogP2.31
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
1,3-dimethyl-5-phenylmethoxyindole
CID 23383486
1-methyl-4-phenylmethoxypyrazole
CID 84661432
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893
3-(1-methoxyethenyl)-5-phenylmethoxyphenol
CID 67489270
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
2-phenyl-5-phenylmethoxyphenol
CID 123808909
[6-(hydroxymethyl)-4-phenylmethoxy-2-pyridinyl]methanol
CID 11436507
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
(3-hydroxy-5-phenylmethoxyphenyl)-phenylmethanone
CID 71119902
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylmethoxypyrrol-2-ol?
The IUPAC name of 1-methyl-4-phenylmethoxypyrrol-2-ol (CID 134892520) is 1-methyl-4-phenylmethoxypyrrol-2-ol.
What is the SMILES notation for 1-methyl-4-phenylmethoxypyrrol-2-ol?
The canonical SMILES for 1-methyl-4-phenylmethoxypyrrol-2-ol is Cn1cc(OCc2ccccc2)cc1O.
What is the InChIKey of 1-methyl-4-phenylmethoxypyrrol-2-ol?
The InChIKey is SVCHNYNYKSBGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-13-8-11(7-12(13)14)15-9-10-5-3-2-4-6-10/h2-8,14H,9H2,1H3.
What are the key properties of 1-methyl-4-phenylmethoxypyrrol-2-ol?
1-methyl-4-phenylmethoxypyrrol-2-ol has a molecular weight of 203.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylmethoxypyrrol-2-ol is sourced from PubChem (CID 134892520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).