4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol

C12H16FNO — CID 117298865

IUPAC4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
SMILESCc1cc(O)c(CC2CCCN2)cc1F
InChIInChI=1S/C12H16FNO/c1-8-5-12(15)9(7-11(8)13)6-10-3-2-4-14-10/h5,7,10,14-15H,2-4,6H2,1H3
InChIKeyAPARDVAFODDPSG-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.13
Rot. Bonds2

About 4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol

4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117298865) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117298865
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
SMILESCc1cc(O)c(CC2CCCN2)cc1F
InChIInChI=1S/C12H16FNO/c1-8-5-12(15)9(7-11(8)13)6-10-3-2-4-14-10/h5,7,10,14-15H,2-4,6H2,1H3
InChIKeyAPARDVAFODDPSG-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117313107
4-fluoro-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117435690
2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117428488
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
CID 117361291
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
3,4-dimethyl-5-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117342837
2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117118250
4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 84812962
2-[(2-fluoro-4-methyl-5-methylsulfanylphenyl)methyl]pyrrolidine
CID 117351620

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol (CID 117298865) is 4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol is Cc1cc(O)c(CC2CCCN2)cc1F.
What is the InChIKey of 4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is APARDVAFODDPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-5-12(15)9(7-11(8)13)6-10-3-2-4-14-10/h5,7,10,14-15H,2-4,6H2,1H3.
What are the key properties of 4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol?
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 209.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117298865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).