[3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol

C12H13NO — CID 148716228

IUPAC[3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol
SMILESCC1=CN=C(c2cccc(CO)c2)C1
InChIInChI=1S/C12H13NO/c1-9-5-12(13-7-9)11-4-2-3-10(6-11)8-14/h2-4,6-7,14H,5,8H2,1H3
InChIKeyNYDYZLVNROZPLH-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.28
Rot. Bonds2

About [3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol

[3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol (PubChem CID 148716228) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is [3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol
PubChem CID148716228
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name[3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol
SMILESCC1=CN=C(c2cccc(CO)c2)C1
InChIInChI=1S/C12H13NO/c1-9-5-12(13-7-9)11-4-2-3-10(6-11)8-14/h2-4,6-7,14H,5,8H2,1H3
InChIKeyNYDYZLVNROZPLH-UHFFFAOYSA-N
XLogP2.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol
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[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-pyrrol-4-yl]methanol
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[4-fluoro-2-[(E)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
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[4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
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[2-(2-fluorophenyl)-3H-pyrrol-4-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol?
The IUPAC name of [3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol (CID 148716228) is [3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol.
What is the SMILES notation for [3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol?
The canonical SMILES for [3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol is CC1=CN=C(c2cccc(CO)c2)C1.
What is the InChIKey of [3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol?
The InChIKey is NYDYZLVNROZPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-5-12(13-7-9)11-4-2-3-10(6-11)8-14/h2-4,6-7,14H,5,8H2,1H3.
What are the key properties of [3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol?
[3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol has a molecular weight of 187.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-3H-pyrrol-2-yl)phenyl]methanol is sourced from PubChem (CID 148716228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).