4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid

C16H11Cl2NO4 — CID 86292470

IUPAC4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Cn2ccc3c(Cl)cc(Cl)c(O)c32)cc1O
InChIInChI=1S/C16H11Cl2NO4/c17-11-6-12(18)15(21)14-9(11)3-4-19(14)7-8-1-2-10(16(22)23)13(20)5-8/h1-6,20-21H,7H2,(H,22,23)
InChIKeyKPPDQRXNHJMVDI-UHFFFAOYSA-N
MW352.17 g/mol
LogP4.11
Rot. Bonds3

About 4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid

4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid (PubChem CID 86292470) has the molecular formula C16H11Cl2NO4 and a molecular weight of 352.17 g/mol. Its IUPAC name is 4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid
PubChem CID86292470
Molecular FormulaC16H11Cl2NO4
Molecular Weight352.17 g/mol
Exact Mass351.01
IUPAC Name4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Cn2ccc3c(Cl)cc(Cl)c(O)c32)cc1O
InChIInChI=1S/C16H11Cl2NO4/c17-11-6-12(18)15(21)14-9(11)3-4-19(14)7-8-1-2-10(16(22)23)13(20)5-8/h1-6,20-21H,7H2,(H,22,23)
InChIKeyKPPDQRXNHJMVDI-UHFFFAOYSA-N
XLogP4.11
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,6-dichlorobenzimidazol-1-yl)methyl]-2-hydroxybenzoic acid
CID 86292666
4-[(5,7-dichloro-1-oxoisoquinolin-2-yl)methyl]benzoic acid
CID 110831546
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
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4-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
CID 175278741
4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
CID 171715325
4-[2-[3-[2-(4-carboxy-3-hydroxyphenyl)ethyl]-5-hydroxyphenyl]ethyl]-2-hydroxybenzoic acid
CID 171715379
3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid
CID 161415346
4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63879545
1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrole-2-carboxylic acid
CID 102604554
4-butyl-2-hydroxybenzoic acid
CID 14895249
2-hydroxy-4-(nitromethyl)benzoic acid
CID 19879867
1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 103038423

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid (CID 86292470) is 4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid is O=C(O)c1ccc(Cn2ccc3c(Cl)cc(Cl)c(O)c32)cc1O.
What is the InChIKey of 4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid?
The InChIKey is KPPDQRXNHJMVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO4/c17-11-6-12(18)15(21)14-9(11)3-4-19(14)7-8-1-2-10(16(22)23)13(20)5-8/h1-6,20-21H,7H2,(H,22,23).
What are the key properties of 4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid?
4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid has a molecular weight of 352.17 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dichloro-7-hydroxyindol-1-yl)methyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 86292470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).