1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol

C12H16FNO2 — CID 62917327

IUPAC1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
SMILESCOc1ccc(F)cc1CN1CCC(O)C1
InChIInChI=1S/C12H16FNO2/c1-16-12-3-2-10(13)6-9(12)7-14-5-4-11(15)8-14/h2-3,6,11,15H,4-5,7-8H2,1H3
InChIKeyDTDBNXNTCFEUJT-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.40
Rot. Bonds3

About 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol

1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol (PubChem CID 62917327) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
PubChem CID62917327
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
SMILESCOc1ccc(F)cc1CN1CCC(O)C1
InChIInChI=1S/C12H16FNO2/c1-16-12-3-2-10(13)6-9(12)7-14-5-4-11(15)8-14/h2-3,6,11,15H,4-5,7-8H2,1H3
InChIKeyDTDBNXNTCFEUJT-UHFFFAOYSA-N
XLogP1.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 56910155
2-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725201
1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride
CID 131703576
(3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol
CID 70717089
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 81494890
1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol
CID 63282227
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol (CID 62917327) is 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol is COc1ccc(F)cc1CN1CCC(O)C1.
What is the InChIKey of 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is DTDBNXNTCFEUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-16-12-3-2-10(13)6-9(12)7-14-5-4-11(15)8-14/h2-3,6,11,15H,4-5,7-8H2,1H3.
What are the key properties of 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol?
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 225.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62917327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).