3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol

C14H16FNO — CID 102106350

IUPAC3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol
SMILESCn1cccc1C(CCO)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO/c1-16-9-2-3-14(16)13(8-10-17)11-4-6-12(15)7-5-11/h2-7,9,13,17H,8,10H2,1H3
InChIKeyGABSSCZYBGNBIB-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.68
Rot. Bonds4

About 3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol

3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol (PubChem CID 102106350) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol
PubChem CID102106350
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol
SMILESCn1cccc1C(CCO)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO/c1-16-9-2-3-14(16)13(8-10-17)11-4-6-12(15)7-5-11/h2-7,9,13,17H,8,10H2,1H3
InChIKeyGABSSCZYBGNBIB-UHFFFAOYSA-N
XLogP2.68
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol
CID 102106355
4-(1-methylpyrrol-2-yl)-4-phenylbutan-2-one
CID 102404112
(R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293052
2-heptan-4-yl-1-methylpyrrole
CID 142001413
1-(4-fluorophenyl)butane-1,2,4-triol
CID 171871723
3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol
CID 79691997
(3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 97315397
N'-[(4-fluorophenyl)methyl]-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]oxamide
CID 86266786
N'-[(4-fluorophenyl)methyl]-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]oxamide
CID 99997989
3-(4-fluorophenyl)-4-(methylamino)butan-1-ol
CID 59012185
1-fluoro-4-[2-fluoro-1-(4-fluorophenyl)ethyl]benzene
CID 170783572
methyl (2S)-2-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoate
CID 99837242

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol?
The IUPAC name of 3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol (CID 102106350) is 3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol?
The canonical SMILES for 3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol is Cn1cccc1C(CCO)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol?
The InChIKey is GABSSCZYBGNBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-16-9-2-3-14(16)13(8-10-17)11-4-6-12(15)7-5-11/h2-7,9,13,17H,8,10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol?
3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol has a molecular weight of 233.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol is sourced from PubChem (CID 102106350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).