2-(2,4-dichloro-6-propoxyphenyl)acetic acid

C11H12Cl2O3 — CID 82554118

IUPAC2-(2,4-dichloro-6-propoxyphenyl)acetic acid
SMILESCCCOc1cc(Cl)cc(Cl)c1CC(=O)O
InChIInChI=1S/C11H12Cl2O3/c1-2-3-16-10-5-7(12)4-9(13)8(10)6-11(14)15/h4-5H,2-3,6H2,1H3,(H,14,15)
InChIKeyUMRRNDHWJHJRBL-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.41
Rot. Bonds5

About 2-(2,4-dichloro-6-propoxyphenyl)acetic acid

2-(2,4-dichloro-6-propoxyphenyl)acetic acid (PubChem CID 82554118) has the molecular formula C11H12Cl2O3 and a molecular weight of 263.12 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-propoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dichloro-6-propoxyphenyl)acetic acid
PubChem CID82554118
Molecular FormulaC11H12Cl2O3
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Name2-(2,4-dichloro-6-propoxyphenyl)acetic acid
SMILESCCCOc1cc(Cl)cc(Cl)c1CC(=O)O
InChIInChI=1S/C11H12Cl2O3/c1-2-3-16-10-5-7(12)4-9(13)8(10)6-11(14)15/h4-5H,2-3,6H2,1H3,(H,14,15)
InChIKeyUMRRNDHWJHJRBL-UHFFFAOYSA-N
XLogP3.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid
CID 59030239
3-(3,5-dichloro-2-propoxyphenyl)propanoic acid
CID 82267091
3-(2-chloro-4,5-dipropoxyphenyl)propanoic acid
CID 82268203
2-(4-chloro-2,6-diethylphenyl)acetic acid
CID 66707717
1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
2-(4-butoxy-3-chlorophenyl)acetic acid
CID 27380
1-(3,5-dichloro-2-propoxyphenyl)ethanone
CID 82267096
2-(2-bromo-4-chloro-6-methoxyphenyl)acetic acid
CID 84811631
2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid
CID 66532195
(E)-4-(4-chloro-2,5-dipropoxyphenyl)-4-oxobut-2-enoic acid
CID 82551618
ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate
CID 121228272
2-(2,5-dichloro-3-methoxyphenyl)acetic acid
CID 54236856

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-propoxyphenyl)acetic acid?
The IUPAC name of 2-(2,4-dichloro-6-propoxyphenyl)acetic acid (CID 82554118) is 2-(2,4-dichloro-6-propoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2,4-dichloro-6-propoxyphenyl)acetic acid?
The canonical SMILES for 2-(2,4-dichloro-6-propoxyphenyl)acetic acid is CCCOc1cc(Cl)cc(Cl)c1CC(=O)O.
What is the InChIKey of 2-(2,4-dichloro-6-propoxyphenyl)acetic acid?
The InChIKey is UMRRNDHWJHJRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3/c1-2-3-16-10-5-7(12)4-9(13)8(10)6-11(14)15/h4-5H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 2-(2,4-dichloro-6-propoxyphenyl)acetic acid?
2-(2,4-dichloro-6-propoxyphenyl)acetic acid has a molecular weight of 263.12 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-propoxyphenyl)acetic acid is sourced from PubChem (CID 82554118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).