1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol

C24H24ClFO4 — CID 174258672

IUPAC1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1ccc(C(C)(O)C(F)OCc2cccc(Oc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C24H24ClFO4/c1-24(27,19-8-6-17(7-9-19)15-28-2)23(26)29-16-18-4-3-5-22(14-18)30-21-12-10-20(25)11-13-21/h3-14,23,27H,15-16H2,1-2H3
InChIKeyGWMVMUSQKJVVBW-UHFFFAOYSA-N
MW430.90 g/mol
LogP6.00
Rot. Bonds9

About 1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol

1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol (PubChem CID 174258672) has the molecular formula C24H24ClFO4 and a molecular weight of 430.90 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol
PubChem CID174258672
Molecular FormulaC24H24ClFO4
Molecular Weight430.90 g/mol
Exact Mass430.13
IUPAC Name1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1ccc(C(C)(O)C(F)OCc2cccc(Oc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C24H24ClFO4/c1-24(27,19-8-6-17(7-9-19)15-28-2)23(26)29-16-18-4-3-5-22(14-18)30-21-12-10-20(25)11-13-21/h3-14,23,27H,15-16H2,1-2H3
InChIKeyGWMVMUSQKJVVBW-UHFFFAOYSA-N
XLogP6.00
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.90
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol with MolForge

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Related Compounds

3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol
CID 14516963
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CID 63985540
1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene
CID 21269875
1-bromo-4-[3-[[2-(4-chlorophenyl)-2-methylpropyl]sulfanylmethyl]phenoxy]benzene
CID 3067144
2-[[3-(4-tert-butylphenoxy)phenyl]methylamino]-6-fluorophenol;2-[[3-(4-chlorophenoxy)phenyl]methylamino]-6-fluorophenol;2-fluoro-6-[(3-phenoxyphenyl)methylamino]phenol;2-fluoro-6-[(3-phenylmethoxyphenyl)methylamino]phenol
CID 160900439
2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol
CID 54436869
1-chloro-4-[6-[3-(4-fluorophenoxy)phenyl]-3-methylhex-1-yn-3-yl]benzene
CID 88645740
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CID 63986344
2-chloro-4-[3-(methoxymethyl)phenoxy]benzenecarbothioamide
CID 63986771
1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene
CID 67931633
1-[1,1-difluoro-2-methyl-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethoxy)benzene
CID 19828146
(4-chlorophenyl) 2-[[3-(trifluoromethyl)phenyl]methoxy]propanoate
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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol (CID 174258672) is 1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol is COCc1ccc(C(C)(O)C(F)OCc2cccc(Oc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol?
The InChIKey is GWMVMUSQKJVVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFO4/c1-24(27,19-8-6-17(7-9-19)15-28-2)23(26)29-16-18-4-3-5-22(14-18)30-21-12-10-20(25)11-13-21/h3-14,23,27H,15-16H2,1-2H3.
What are the key properties of 1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol?
1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol has a molecular weight of 430.90 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 174258672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).