[3-(pyrrol-1-ylmethyl)phenyl]methanol

C12H13NO — CID 13287871

IUPAC[3-(pyrrol-1-ylmethyl)phenyl]methanol
SMILESOCc1cccc(Cn2cccc2)c1
InChIInChI=1S/C12H13NO/c14-10-12-5-3-4-11(8-12)9-13-6-1-2-7-13/h1-8,14H,9-10H2
InChIKeyZTGFGPXLKPSYCT-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.03
Rot. Bonds3

About [3-(pyrrol-1-ylmethyl)phenyl]methanol

[3-(pyrrol-1-ylmethyl)phenyl]methanol (PubChem CID 13287871) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is [3-(pyrrol-1-ylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(pyrrol-1-ylmethyl)phenyl]methanol
PubChem CID13287871
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name[3-(pyrrol-1-ylmethyl)phenyl]methanol
SMILESOCc1cccc(Cn2cccc2)c1
InChIInChI=1S/C12H13NO/c14-10-12-5-3-4-11(8-12)9-13-6-1-2-7-13/h1-8,14H,9-10H2
InChIKeyZTGFGPXLKPSYCT-UHFFFAOYSA-N
XLogP2.03
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(pyrrol-1-ylmethyl)phenyl]methanol?
The IUPAC name of [3-(pyrrol-1-ylmethyl)phenyl]methanol (CID 13287871) is [3-(pyrrol-1-ylmethyl)phenyl]methanol.
What is the SMILES notation for [3-(pyrrol-1-ylmethyl)phenyl]methanol?
The canonical SMILES for [3-(pyrrol-1-ylmethyl)phenyl]methanol is OCc1cccc(Cn2cccc2)c1.
What is the InChIKey of [3-(pyrrol-1-ylmethyl)phenyl]methanol?
The InChIKey is ZTGFGPXLKPSYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-10-12-5-3-4-11(8-12)9-13-6-1-2-7-13/h1-8,14H,9-10H2.
What are the key properties of [3-(pyrrol-1-ylmethyl)phenyl]methanol?
[3-(pyrrol-1-ylmethyl)phenyl]methanol has a molecular weight of 187.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyrrol-1-ylmethyl)phenyl]methanol is sourced from PubChem (CID 13287871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).