2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid

C22H15ClO4 — CID 143196709

IUPAC2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid
SMILESC=c1cc2c(cc1Cl)=C(c1ccccc1C(=O)O)c1ccc(O)c(C)c1O2
InChIInChI=1S/C22H15ClO4/c1-11-9-19-16(10-17(11)23)20(13-5-3-4-6-14(13)22(25)26)15-7-8-18(24)12(2)21(15)27-19/h3-10,24H,1H2,2H3,(H,25,26)
InChIKeyOAEZUCFGJVVVAH-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.82
Rot. Bonds2

About 2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid

2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid (PubChem CID 143196709) has the molecular formula C22H15ClO4 and a molecular weight of 378.81 g/mol. Its IUPAC name is 2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid.

Molecular Properties

Compound Name2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid
PubChem CID143196709
Molecular FormulaC22H15ClO4
Molecular Weight378.81 g/mol
Exact Mass378.07
IUPAC Name2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid
SMILESC=c1cc2c(cc1Cl)=C(c1ccccc1C(=O)O)c1ccc(O)c(C)c1O2
InChIInChI=1S/C22H15ClO4/c1-11-9-19-16(10-17(11)23)20(13-5-3-4-6-14(13)22(25)26)15-7-8-18(24)12(2)21(15)27-19/h3-10,24H,1H2,2H3,(H,25,26)
InChIKeyOAEZUCFGJVVVAH-UHFFFAOYSA-N
XLogP3.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid
CID 121431911
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
2-[2-(2-carboxyphenyl)-4-chlorophenyl]benzoic acid
CID 90412939
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
3-(3,6-dihydroxy-4,5-dimethylxanthen-9-ylidene)propanoic acid
CID 19958014
2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid
CID 14174396
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
2-[3-(diethylamino)-6-methylidenexanthen-9-yl]benzoic acid;ethyl 2-[3-(ethylamino)-2,7-dimethyl-6-methylidenexanthen-9-yl]benzoate;dichloride
CID 158643512
2-(2-chloro-4-ethoxyphenyl)benzoic acid
CID 53218434
1-[2-(1,4,5,8-tetramethyl-3-methylidenexanthen-9-yl)phenyl]ethanone
CID 160512136
2-hydroxybenzoic acid;praseodymium
CID 87786006

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid?
The IUPAC name of 2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid (CID 143196709) is 2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid.
What is the SMILES notation for 2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid?
The canonical SMILES for 2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid is C=c1cc2c(cc1Cl)=C(c1ccccc1C(=O)O)c1ccc(O)c(C)c1O2.
What is the InChIKey of 2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid?
The InChIKey is OAEZUCFGJVVVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO4/c1-11-9-19-16(10-17(11)23)20(13-5-3-4-6-14(13)22(25)26)15-7-8-18(24)12(2)21(15)27-19/h3-10,24H,1H2,2H3,(H,25,26).
What are the key properties of 2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid?
2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid has a molecular weight of 378.81 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid is sourced from PubChem (CID 143196709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).