1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol

C16H24FNO3 — CID 111753985

IUPAC1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol
SMILESCOCC1CCCN1CC(O)COCc1ccccc1F
InChIInChI=1S/C16H24FNO3/c1-20-11-14-6-4-8-18(14)9-15(19)12-21-10-13-5-2-3-7-16(13)17/h2-3,5,7,14-15,19H,4,6,8-12H2,1H3
InChIKeySQZDITUKQWITPZ-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.81
Rot. Bonds8

About 1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol

1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 111753985) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol
PubChem CID111753985
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol
SMILESCOCC1CCCN1CC(O)COCc1ccccc1F
InChIInChI=1S/C16H24FNO3/c1-20-11-14-6-4-8-18(14)9-15(19)12-21-10-13-5-2-3-7-16(13)17/h2-3,5,7,14-15,19H,4,6,8-12H2,1H3
InChIKeySQZDITUKQWITPZ-UHFFFAOYSA-N
XLogP1.81
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Benzyloxy)-3-(2,6-dimethyl-1-piperidinyl)-2-propanol hydrochloride
CID 16236854
1-(3,5-Dimethylpiperidin-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol;hydrochloride
CID 16237309
1-(2-Methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol;hydrochloride
CID 16238906
CID 16807026
CID 16807026
1-Benzyloxy-3-pyrrolidin-1-yl-propan-2-ol
CID 2881951
2-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3.2.1]oct-8-yl}-ethoxy)-ethanol
CID 44341910
1-(Benzyloxy)-3-(3,5-dimethyl-1-piperidinyl)-2-propanol hydrochloride
CID 2874628
1-[(2-Fluorobenzyl)oxy]-3-(1-piperidinyl)-2-propanol
CID 16238528
1-(2,6-Dimethyl-1-piperidinyl)-3-[(2-fluorobenzyl)oxy]-2-propanol hydrochloride
CID 16245034
3-(1,1-Dimethylethyl)-2-phenyloxazolidine-5-methanol
CID 108810
2-Propanol, 1-(diethylamino)-3-(phenylmethoxy)-
CID 201044
1-(Benzyloxy)-3-(3-methyl-1-piperidinyl)-2-propanol hydrochloride
CID 2882426

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol (CID 111753985) is 1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol is COCC1CCCN1CC(O)COCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is SQZDITUKQWITPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-20-11-14-6-4-8-18(14)9-15(19)12-21-10-13-5-2-3-7-16(13)17/h2-3,5,7,14-15,19H,4,6,8-12H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol?
1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 297.37 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 111753985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).