(S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol

C14H16FNO — CID 159012562

IUPAC(S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol
SMILESCCCc1cc(F)ccc1[C@H](O)C1=NC=CC1
InChIInChI=1S/C14H16FNO/c1-2-4-10-9-11(15)6-7-12(10)14(17)13-5-3-8-16-13/h3,6-9,14,17H,2,4-5H2,1H3/t14-/m0/s1
InChIKeyLEVMYLXONKHDFD-AWEZNQCLSA-N
MW233.29 g/mol
LogP3.17
Rot. Bonds4

About (S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol

(S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol (PubChem CID 159012562) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol
PubChem CID159012562
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol
SMILESCCCc1cc(F)ccc1[C@H](O)C1=NC=CC1
InChIInChI=1S/C14H16FNO/c1-2-4-10-9-11(15)6-7-12(10)14(17)13-5-3-8-16-13/h3,6-9,14,17H,2,4-5H2,1H3/t14-/m0/s1
InChIKeyLEVMYLXONKHDFD-AWEZNQCLSA-N
XLogP3.17
TPSA32.59 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-2-Methylimino-1-phenylpropan-1-ol
CID 656502
1-Hydroxy-1h-benzo[d]azepine
CID 67873283
2-Methylimino-1-phenylpropan-1-ol
CID 78202320
methyl N-[(1E,3E)-5-(3-fluorophenyl)-5-hydroxy-2-phenylpenta-1,3-dienyl]ethanimidate
CID 129156923
1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol
CID 134287066
9-Fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol
CID 142980732
(2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol
CID 144927632
(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol
CID 145107690
1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol
CID 147898535
[4-fluoro-2-[(E)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
CID 152840053
[4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
CID 152840054
[2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol
CID 157307258

Frequently Asked Questions

What is the IUPAC name of (S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol?
The IUPAC name of (S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol (CID 159012562) is (S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol.
What is the SMILES notation for (S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol?
The canonical SMILES for (S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol is CCCc1cc(F)ccc1[C@H](O)C1=NC=CC1.
What is the InChIKey of (S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol?
The InChIKey is LEVMYLXONKHDFD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16FNO/c1-2-4-10-9-11(15)6-7-12(10)14(17)13-5-3-8-16-13/h3,6-9,14,17H,2,4-5H2,1H3/t14-/m0/s1.
What are the key properties of (S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol?
(S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol has a molecular weight of 233.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol is sourced from PubChem (CID 159012562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).