1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol

C18H21FO4 — CID 109414144

IUPAC1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol
SMILESCOc1cc(C)ccc1OCC(O)COCc1ccccc1F
InChIInChI=1S/C18H21FO4/c1-13-7-8-17(18(9-13)21-2)23-12-15(20)11-22-10-14-5-3-4-6-16(14)19/h3-9,15,20H,10-12H2,1-2H3
InChIKeyZXWJFKKSKVBAJJ-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.10
Rot. Bonds8

About 1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol

1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol (PubChem CID 109414144) has the molecular formula C18H21FO4 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol
PubChem CID109414144
Molecular FormulaC18H21FO4
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol
SMILESCOc1cc(C)ccc1OCC(O)COCc1ccccc1F
InChIInChI=1S/C18H21FO4/c1-13-7-8-17(18(9-13)21-2)23-12-15(20)11-22-10-14-5-3-4-6-16(14)19/h3-9,15,20H,10-12H2,1-2H3
InChIKeyZXWJFKKSKVBAJJ-UHFFFAOYSA-N
XLogP3.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol
CID 109415518
1-(2-fluoro-6-methoxyphenoxy)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 109416030
1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 110017824
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
(1S)-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 78934333
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 78805385
2-fluoro-6-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile
CID 97243450
2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile
CID 97243449
1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol
CID 109416037
(2S)-1-[(2-fluorophenyl)methoxy]-3-(N,2,4-trimethylanilino)propan-2-ol
CID 51964301
1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene
CID 2899565
1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 109414138

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol (CID 109414144) is 1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol is COc1cc(C)ccc1OCC(O)COCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol?
The InChIKey is ZXWJFKKSKVBAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO4/c1-13-7-8-17(18(9-13)21-2)23-12-15(20)11-22-10-14-5-3-4-6-16(14)19/h3-9,15,20H,10-12H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol?
1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol has a molecular weight of 320.36 g/mol, XLogP of 3.10, 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-methoxy-4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 109414144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).