3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid

C16H13Cl2FO4 — CID 123785109

IUPAC3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C16H13Cl2FO4/c17-12-4-1-9(5-13(12)18)8-23-10-2-3-11(14(19)6-10)15(20)7-16(21)22/h1-6,15,20H,7-8H2,(H,21,22)
InChIKeyTZXDCBCHPLCRBE-UHFFFAOYSA-N
MW359.18 g/mol
LogP4.22
Rot. Bonds6

About 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid

3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid (PubChem CID 123785109) has the molecular formula C16H13Cl2FO4 and a molecular weight of 359.18 g/mol. Its IUPAC name is 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid
PubChem CID123785109
Molecular FormulaC16H13Cl2FO4
Molecular Weight359.18 g/mol
Exact Mass358.02
IUPAC Name3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C16H13Cl2FO4/c17-12-4-1-9(5-13(12)18)8-23-10-2-3-11(14(19)6-10)15(20)7-16(21)22/h1-6,15,20H,7-8H2,(H,21,22)
InChIKeyTZXDCBCHPLCRBE-UHFFFAOYSA-N
XLogP4.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

fluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate
CID 143917773
2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 63047363
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718633
4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid
CID 107719952
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid
CID 106500475
5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 107881627
4-[2-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid
CID 126618682
2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone
CID 2801382

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid?
The IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid (CID 123785109) is 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid.
What is the SMILES notation for 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid?
The canonical SMILES for 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid is O=C(O)CC(O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1F.
What is the InChIKey of 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid?
The InChIKey is TZXDCBCHPLCRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FO4/c17-12-4-1-9(5-13(12)18)8-23-10-2-3-11(14(19)6-10)15(20)7-16(21)22/h1-6,15,20H,7-8H2,(H,21,22).
What are the key properties of 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid?
3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid has a molecular weight of 359.18 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid is sourced from PubChem (CID 123785109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).