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

C14H16FNO — CID 159012563

IUPAC(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol
SMILESCCCc1cc(F)ccc1C(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
InChIKeyLEVMYLXONKHDFD-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.17
Rot. Bonds4

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

(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol (PubChem CID 159012563) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol
PubChem CID159012563
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol
SMILESCCCc1cc(F)ccc1C(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
InChIKeyLEVMYLXONKHDFD-UHFFFAOYSA-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

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Related Compounds

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(2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol
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(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol
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[4-fluoro-2-[(E)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
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[4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol?
The IUPAC name of (4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol (CID 159012563) is (4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol.
What is the SMILES notation for (4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol?
The canonical SMILES for (4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol is CCCc1cc(F)ccc1C(O)C1=NC=CC1.
What is the InChIKey of (4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol?
The InChIKey is LEVMYLXONKHDFD-UHFFFAOYSA-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.
What are the key properties of (4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol?
(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 (4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol is sourced from PubChem (CID 159012563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).