3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol

C14H17NO — CID 102106357

IUPAC3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol
SMILESCc1ccc(C(CCO)c2ccc[nH]2)cc1
InChIInChI=1S/C14H17NO/c1-11-4-6-12(7-5-11)13(8-10-16)14-3-2-9-15-14/h2-7,9,13,15-16H,8,10H2,1H3
InChIKeyVEMRKDBOTQACNL-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.84
Rot. Bonds4

About 3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol

3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol (PubChem CID 102106357) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol
PubChem CID102106357
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol
SMILESCc1ccc(C(CCO)c2ccc[nH]2)cc1
InChIInChI=1S/C14H17NO/c1-11-4-6-12(7-5-11)13(8-10-16)14-3-2-9-15-14/h2-7,9,13,15-16H,8,10H2,1H3
InChIKeyVEMRKDBOTQACNL-UHFFFAOYSA-N
XLogP2.84
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol
CID 82082551
3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 82088502
5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid
CID 112519040
3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 82092111
(2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol
CID 11265192
(3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one
CID 102531736
2-[(1S)-3-hydroxy-1-phenylpropyl]-4-methylphenol
CID 16754102
(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride
CID 171221255
1-(1H-pyrrol-2-yl)butan-1-ol
CID 57024972
2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole
CID 101493519
(1S)-1-(1H-pyrrol-2-yl)propan-1-ol
CID 78962664
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170875108

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol?
The IUPAC name of 3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol (CID 102106357) is 3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol?
The canonical SMILES for 3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol is Cc1ccc(C(CCO)c2ccc[nH]2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol?
The InChIKey is VEMRKDBOTQACNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-4-6-12(7-5-11)13(8-10-16)14-3-2-9-15-14/h2-7,9,13,15-16H,8,10H2,1H3.
What are the key properties of 3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol?
3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol has a molecular weight of 215.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol is sourced from PubChem (CID 102106357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).