[2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol

C16H16FNO — CID 157307258

IUPAC[2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol
SMILESOC(C1=NC=CC1)c1ccc(F)cc1C1=CCCC1
InChIInChI=1S/C16H16FNO/c17-12-7-8-13(16(19)15-6-3-9-18-15)14(10-12)11-4-1-2-5-11/h3-4,7-10,16,19H,1-2,5-6H2
InChIKeyBCPYUZZGOGUDAN-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.78
Rot. Bonds3

About [2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol

[2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol (PubChem CID 157307258) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is [2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name[2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol
PubChem CID157307258
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name[2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol
SMILESOC(C1=NC=CC1)c1ccc(F)cc1C1=CCCC1
InChIInChI=1S/C16H16FNO/c17-12-7-8-13(16(19)15-6-3-9-18-15)14(10-12)11-4-1-2-5-11/h3-4,7-10,16,19H,1-2,5-6H2
InChIKeyBCPYUZZGOGUDAN-UHFFFAOYSA-N
XLogP3.78
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Hydroxy-1h-benzo[d]azepine
CID 67873283
1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol
CID 134287066
(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
[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-cyclobutyl-4-fluorophenyl)-(3H-pyrrol-2-yl)methanol
CID 157827589
(3,4-difluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol
CID 161787203
(2S,3E)-2-(4-fluorophenyl)-3-[(propan-2-ylideneamino)methylidene]pent-4-en-2-ol
CID 166982823
(3-fluoro-2-methylphenyl)-(3H-pyrrol-4-yl)methanol
CID 157858430
(R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol
CID 159012561
(S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol
CID 159012562

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol?
The IUPAC name of [2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol (CID 157307258) is [2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol.
What is the SMILES notation for [2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol?
The canonical SMILES for [2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol is OC(C1=NC=CC1)c1ccc(F)cc1C1=CCCC1.
What is the InChIKey of [2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol?
The InChIKey is BCPYUZZGOGUDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-12-7-8-13(16(19)15-6-3-9-18-15)14(10-12)11-4-1-2-5-11/h3-4,7-10,16,19H,1-2,5-6H2.
What are the key properties of [2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol?
[2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol has a molecular weight of 257.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol is sourced from PubChem (CID 157307258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).