4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid

C28H20Cl2O5 — CID 158745717

IUPAC4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid
SMILESCOc1cc(Cl)c2c(c1)C(=O)c1ccccc1-2.COc1ccc(-c2ccccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C14H11ClO3.C14H9ClO2/c1-18-9-6-7-11(13(15)8-9)10-4-2-3-5-12(10)14(16)17;1-17-8-6-11-13(12(15)7-8)9-4-2-3-5-10(9)14(11)16/h2-8H,1H3,(H,16,17);2-7H,1H3
InChIKeyIMVZUXGGMBBTNJ-UHFFFAOYSA-N
MW507.37 g/mol
LogP7.27
Rot. Bonds4

About 4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid

4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid (PubChem CID 158745717) has the molecular formula C28H20Cl2O5 and a molecular weight of 507.37 g/mol. Its IUPAC name is 4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid
PubChem CID158745717
Molecular FormulaC28H20Cl2O5
Molecular Weight507.37 g/mol
Exact Mass506.07
IUPAC Name4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid
SMILESCOc1cc(Cl)c2c(c1)C(=O)c1ccccc1-2.COc1ccc(-c2ccccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C14H11ClO3.C14H9ClO2/c1-18-9-6-7-11(13(15)8-9)10-4-2-3-5-12(10)14(16)17;1-17-8-6-11-13(12(15)7-8)9-4-2-3-5-10(9)14(11)16/h2-8H,1H3,(H,16,17);2-7H,1H3
InChIKeyIMVZUXGGMBBTNJ-UHFFFAOYSA-N
XLogP7.27
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.37
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid?
The IUPAC name of 4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid (CID 158745717) is 4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid?
The canonical SMILES for 4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid is COc1cc(Cl)c2c(c1)C(=O)c1ccccc1-2.COc1ccc(-c2ccccc2C(=O)O)c(Cl)c1.
What is the InChIKey of 4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid?
The InChIKey is IMVZUXGGMBBTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3.C14H9ClO2/c1-18-9-6-7-11(13(15)8-9)10-4-2-3-5-12(10)14(16)17;1-17-8-6-11-13(12(15)7-8)9-4-2-3-5-10(9)14(11)16/h2-8H,1H3,(H,16,17);2-7H,1H3.
What are the key properties of 4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid?
4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid has a molecular weight of 507.37 g/mol, XLogP of 7.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid is sourced from PubChem (CID 158745717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).