[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol

C21H17Cl2FO3 — CID 66642809

IUPAC[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol
SMILESCOc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1Cc1ccc(F)cc1
InChIInChI=1S/C21H17Cl2FO3/c1-26-20-7-6-17(11-15(20)8-13-2-4-16(24)5-3-13)27-21-18(22)9-14(12-25)10-19(21)23/h2-7,9-11,25H,8,12H2,1H3
InChIKeyYUHWDOLDSXXWJC-UHFFFAOYSA-N
MW407.27 g/mol
LogP6.02
Rot. Bonds6

About [3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol

[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol (PubChem CID 66642809) has the molecular formula C21H17Cl2FO3 and a molecular weight of 407.27 g/mol. Its IUPAC name is [3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol
PubChem CID66642809
Molecular FormulaC21H17Cl2FO3
Molecular Weight407.27 g/mol
Exact Mass406.05
IUPAC Name[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol
SMILESCOc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1Cc1ccc(F)cc1
InChIInChI=1S/C21H17Cl2FO3/c1-26-20-7-6-17(11-15(20)8-13-2-4-16(24)5-3-13)27-21-18(22)9-14(12-25)10-19(21)23/h2-7,9-11,25H,8,12H2,1H3
InChIKeyYUHWDOLDSXXWJC-UHFFFAOYSA-N
XLogP6.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.27
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol?
The IUPAC name of [3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol (CID 66642809) is [3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol?
The canonical SMILES for [3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol is COc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1Cc1ccc(F)cc1.
What is the InChIKey of [3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol?
The InChIKey is YUHWDOLDSXXWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FO3/c1-26-20-7-6-17(11-15(20)8-13-2-4-16(24)5-3-13)27-21-18(22)9-14(12-25)10-19(21)23/h2-7,9-11,25H,8,12H2,1H3.
What are the key properties of [3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol?
[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol has a molecular weight of 407.27 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]methanol is sourced from PubChem (CID 66642809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).