2-(3-phenylpyrrol-3-yl)ethanol

C12H13NO — CID 140989894

IUPAC2-(3-phenylpyrrol-3-yl)ethanol
SMILESOCCC1(c2ccccc2)C=CN=C1
InChIInChI=1S/C12H13NO/c14-9-7-12(6-8-13-10-12)11-4-2-1-3-5-11/h1-6,8,10,14H,7,9H2
InChIKeyDDFJKSZKBFUZCW-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.90
Rot. Bonds3

About 2-(3-phenylpyrrol-3-yl)ethanol

2-(3-phenylpyrrol-3-yl)ethanol (PubChem CID 140989894) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(3-phenylpyrrol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-phenylpyrrol-3-yl)ethanol
PubChem CID140989894
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(3-phenylpyrrol-3-yl)ethanol
SMILESOCCC1(c2ccccc2)C=CN=C1
InChIInChI=1S/C12H13NO/c14-9-7-12(6-8-13-10-12)11-4-2-1-3-5-11/h1-6,8,10,14H,7,9H2
InChIKeyDDFJKSZKBFUZCW-UHFFFAOYSA-N
XLogP1.90
TPSA32.59 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ST026286
CID 3251128
4-(Trifluoromethylphenyl)-4-pyridylmethanol
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2-[3-(3,4-Difluorophenyl)pyrrol-3-yl]ethanol
CID 140991188
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CID 145828628
3-(1H-3-benzazepin-2-yl)propan-1-ol
CID 154202951
[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyrrol-3-yl)ethanol?
The IUPAC name of 2-(3-phenylpyrrol-3-yl)ethanol (CID 140989894) is 2-(3-phenylpyrrol-3-yl)ethanol.
What is the SMILES notation for 2-(3-phenylpyrrol-3-yl)ethanol?
The canonical SMILES for 2-(3-phenylpyrrol-3-yl)ethanol is OCCC1(c2ccccc2)C=CN=C1.
What is the InChIKey of 2-(3-phenylpyrrol-3-yl)ethanol?
The InChIKey is DDFJKSZKBFUZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-9-7-12(6-8-13-10-12)11-4-2-1-3-5-11/h1-6,8,10,14H,7,9H2.
What are the key properties of 2-(3-phenylpyrrol-3-yl)ethanol?
2-(3-phenylpyrrol-3-yl)ethanol has a molecular weight of 187.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyrrol-3-yl)ethanol is sourced from PubChem (CID 140989894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).