1-(4-fluorophenoxy)-3-methoxypropan-2-ol

C10H13FO3 — CID 86691234

IUPAC1-(4-fluorophenoxy)-3-methoxypropan-2-ol
SMILESCOCC(O)COc1ccc(F)cc1
InChIInChI=1S/C10H13FO3/c1-13-6-9(12)7-14-10-4-2-8(11)3-5-10/h2-5,9,12H,6-7H2,1H3
InChIKeyLGMNCCOYXJNRAB-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.21
Rot. Bonds5

About 1-(4-fluorophenoxy)-3-methoxypropan-2-ol

1-(4-fluorophenoxy)-3-methoxypropan-2-ol (PubChem CID 86691234) has the molecular formula C10H13FO3 and a molecular weight of 200.21 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-methoxypropan-2-ol
PubChem CID86691234
Molecular FormulaC10H13FO3
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name1-(4-fluorophenoxy)-3-methoxypropan-2-ol
SMILESCOCC(O)COc1ccc(F)cc1
InChIInChI=1S/C10H13FO3/c1-13-6-9(12)7-14-10-4-2-8(11)3-5-10/h2-5,9,12H,6-7H2,1H3
InChIKeyLGMNCCOYXJNRAB-UHFFFAOYSA-N
XLogP1.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenoxy)-3-methoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(4-fluorophenoxy)-4-methylpentan-2-ol
CID 117241745
1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
CID 103603634
4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
1-(4-fluorophenoxy)-4-methoxybutan-2-amine
CID 117236773
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol
CID 107718953
1-[4-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-3-methoxypropan-2-ol
CID 77013431
(2R,3R,12R)-13-(4-fluorophenoxy)tridecane-2,3,12-triol
CID 141205651
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
[3-(4-fluorophenoxy)-2-hydroxypropyl] prop-2-enoate
CID 139559416

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-methoxypropan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-methoxypropan-2-ol (CID 86691234) is 1-(4-fluorophenoxy)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-methoxypropan-2-ol is COCC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-methoxypropan-2-ol?
The InChIKey is LGMNCCOYXJNRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3/c1-13-6-9(12)7-14-10-4-2-8(11)3-5-10/h2-5,9,12H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenoxy)-3-methoxypropan-2-ol?
1-(4-fluorophenoxy)-3-methoxypropan-2-ol has a molecular weight of 200.21 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-methoxypropan-2-ol is sourced from PubChem (CID 86691234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).