1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol

C17H18ClFO4 — CID 109416037

IUPAC1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(F)c1OCC(O)COCc1ccccc1Cl
InChIInChI=1S/C17H18ClFO4/c1-21-16-8-4-7-15(19)17(16)23-11-13(20)10-22-9-12-5-2-3-6-14(12)18/h2-8,13,20H,9-11H2,1H3
InChIKeyAASKMNUBYSAEMB-UHFFFAOYSA-N
MW340.78 g/mol
LogP3.44
Rot. Bonds8

About 1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol

1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol (PubChem CID 109416037) has the molecular formula C17H18ClFO4 and a molecular weight of 340.78 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol
PubChem CID109416037
Molecular FormulaC17H18ClFO4
Molecular Weight340.78 g/mol
Exact Mass340.09
IUPAC Name1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(F)c1OCC(O)COCc1ccccc1Cl
InChIInChI=1S/C17H18ClFO4/c1-21-16-8-4-7-15(19)17(16)23-11-13(20)10-22-9-12-5-2-3-6-14(12)18/h2-8,13,20H,9-11H2,1H3
InChIKeyAASKMNUBYSAEMB-UHFFFAOYSA-N
XLogP3.44
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-6-methoxyphenoxy)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 109416030
1-(2-chlorophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol
CID 109416021
1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 110017824
1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol
CID 109414144
(2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol
CID 141307295
1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone
CID 109414078
1-[(2-chlorophenyl)methoxy]-3-(2-fluoroanilino)propan-2-ol
CID 60896667
2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile
CID 97243449
2-fluoro-6-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile
CID 97243450
1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol
CID 109416024
2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 109416014
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 2118266

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol (CID 109416037) is 1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol is COc1cccc(F)c1OCC(O)COCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol?
The InChIKey is AASKMNUBYSAEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO4/c1-21-16-8-4-7-15(19)17(16)23-11-13(20)10-22-9-12-5-2-3-6-14(12)18/h2-8,13,20H,9-11H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol?
1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol has a molecular weight of 340.78 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 109416037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).