2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid

C18H16Cl2O4 — CID 21449479

IUPAC2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid
SMILESCC1(c2ccccc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1O
InChIInChI=1S/C18H16Cl2O4/c1-18(11-5-3-2-4-6-11)8-10-7-12(24-9-13(21)22)15(19)16(20)14(10)17(18)23/h2-7,17,23H,8-9H2,1H3,(H,21,22)
InChIKeyCRMSSQMMPKIZST-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.00
Rot. Bonds4

About 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid

2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid (PubChem CID 21449479) has the molecular formula C18H16Cl2O4 and a molecular weight of 367.23 g/mol. Its IUPAC name is 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid
PubChem CID21449479
Molecular FormulaC18H16Cl2O4
Molecular Weight367.23 g/mol
Exact Mass366.04
IUPAC Name2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid
SMILESCC1(c2ccccc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1O
InChIInChI=1S/C18H16Cl2O4/c1-18(11-5-3-2-4-6-11)8-10-7-12(24-9-13(21)22)15(19)16(20)14(10)17(18)23/h2-7,17,23H,8-9H2,1H3,(H,21,22)
InChIKeyCRMSSQMMPKIZST-UHFFFAOYSA-N
XLogP4.00
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid
CID 21449486
2-[(6,7-dichloro-2-cyclopropyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
CID 70552076
2-[6,7-dichloro-1-[(Z)-hydroxyiminomethyl]-2'-methylspiro[1,3-dihydroindene-2,1'-cyclopropane]-5-yl]oxyacetic acid
CID 88839181
2-(6,7-dichloro-1-hydroxyimino-2,2,3-trimethyl-3-phenylinden-5-yl)oxyacetic acid
CID 88839555
6,7-dichloro-5-(2-hydroxyethoxy)-2-methyl-2-phenyl-3H-inden-1-one
CID 12773780
2-[[(8aR)-3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl]oxy]acetic acid
CID 12806940
2-[[(1Z)-6,7-dichloro-2-(1-hydroxycyclopentyl)-1-hydroxyimino-2-methyl-3H-inden-5-yl]oxy]acetic acid
CID 88839805
2-[[(1Z)-6,7-dichloro-2-ethyl-1-hydroxyimino-2-methyl-3-phenyl-3H-inden-5-yl]oxy]acetic acid
CID 88839664
2-[[6,7-dichloro-2-(4-chlorophenyl)-1-oxo-2-prop-2-ynyl-3H-inden-5-yl]oxy]acetic acid
CID 12774095
2-[(2-acetyl-6,7-dichloro-1-benzothiophen-5-yl)oxy]acetic acid
CID 13290041
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[[6,7-dichloro-2-(cyclopropylmethyl)-1-oxo-2-(3-oxobutyl)-3H-inden-5-yl]oxy]acetic acid
CID 20520771

Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid?
The IUPAC name of 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid (CID 21449479) is 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid?
The canonical SMILES for 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid is CC1(c2ccccc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1O.
What is the InChIKey of 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid?
The InChIKey is CRMSSQMMPKIZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2O4/c1-18(11-5-3-2-4-6-11)8-10-7-12(24-9-13(21)22)15(19)16(20)14(10)17(18)23/h2-7,17,23H,8-9H2,1H3,(H,21,22).
What are the key properties of 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid?
2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid has a molecular weight of 367.23 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-phenyl-1,3-dihydroinden-5-yl)oxy]acetic acid is sourced from PubChem (CID 21449479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).