2-(3,5-dichloro-2-hydroxyphenyl)acetic acid

C8H6Cl2O3 — CID 70463293

IUPAC2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H6Cl2O3/c9-5-1-4(2-7(11)12)8(13)6(10)3-5/h1,3,13H,2H2,(H,11,12)
InChIKeyNKNKBVVUEYMSAJ-UHFFFAOYSA-N
MW221.04 g/mol
LogP2.33
Rot. Bonds2

About 2-(3,5-dichloro-2-hydroxyphenyl)acetic acid

2-(3,5-dichloro-2-hydroxyphenyl)acetic acid (PubChem CID 70463293) has the molecular formula C8H6Cl2O3 and a molecular weight of 221.04 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
PubChem CID70463293
Molecular FormulaC8H6Cl2O3
Molecular Weight221.04 g/mol
Exact Mass219.97
IUPAC Name2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H6Cl2O3/c9-5-1-4(2-7(11)12)8(13)6(10)3-5/h1,3,13H,2H2,(H,11,12)
InChIKeyNKNKBVVUEYMSAJ-UHFFFAOYSA-N
XLogP2.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dichloro-2-hydroxyphenyl)propanoic acid
CID 54270247
2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid
CID 83899432
acetic acid;2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 70616535
2-[1-[(3,5-dichloro-2-hydroxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 65069785
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-prop-2-ynylamino]acetic acid
CID 79284823
1-[(3,5-dichloro-2-hydroxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65072097
2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide
CID 16775959
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
2-(4-chloro-2,6-diethylphenyl)acetic acid
CID 66707717
3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide
CID 43553259
3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-5-hydroxybenzoic acid
CID 86294575
2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-4,4,4-trifluorobutanoic acid
CID 167805745

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(3,5-dichloro-2-hydroxyphenyl)acetic acid (CID 70463293) is 2-(3,5-dichloro-2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(3,5-dichloro-2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(3,5-dichloro-2-hydroxyphenyl)acetic acid is O=C(O)Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-(3,5-dichloro-2-hydroxyphenyl)acetic acid?
The InChIKey is NKNKBVVUEYMSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3/c9-5-1-4(2-7(11)12)8(13)6(10)3-5/h1,3,13H,2H2,(H,11,12).
What are the key properties of 2-(3,5-dichloro-2-hydroxyphenyl)acetic acid?
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid has a molecular weight of 221.04 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 70463293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).