[3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol

C15H13Cl2FO3 — CID 103046921

IUPAC[3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCc1cc(Cl)ccc1F
InChIInChI=1S/C15H13Cl2FO3/c1-20-14-5-9(7-19)4-12(17)15(14)21-8-10-6-11(16)2-3-13(10)18/h2-6,19H,7-8H2,1H3
InChIKeyKSWRWRZBCHHELM-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.21
Rot. Bonds5

About [3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol

[3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol (PubChem CID 103046921) has the molecular formula C15H13Cl2FO3 and a molecular weight of 331.17 g/mol. Its IUPAC name is [3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
PubChem CID103046921
Molecular FormulaC15H13Cl2FO3
Molecular Weight331.17 g/mol
Exact Mass330.02
IUPAC Name[3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCc1cc(Cl)ccc1F
InChIInChI=1S/C15H13Cl2FO3/c1-20-14-5-9(7-19)4-12(17)15(14)21-8-10-6-11(16)2-3-13(10)18/h2-6,19H,7-8H2,1H3
InChIKeyKSWRWRZBCHHELM-UHFFFAOYSA-N
XLogP4.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol?
The IUPAC name of [3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol (CID 103046921) is [3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol?
The canonical SMILES for [3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol is COc1cc(CO)cc(Cl)c1OCc1cc(Cl)ccc1F.
What is the InChIKey of [3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol?
The InChIKey is KSWRWRZBCHHELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO3/c1-20-14-5-9(7-19)4-12(17)15(14)21-8-10-6-11(16)2-3-13(10)18/h2-6,19H,7-8H2,1H3.
What are the key properties of [3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol?
[3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol has a molecular weight of 331.17 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanol is sourced from PubChem (CID 103046921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).