4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid

C25H26O2 — CID 67720642

IUPAC4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid
SMILESCc1c(-c2ccc(C(=O)O)cc2)c(C)c2cc3c(cc2c1C)C(C)CCC3
InChIInChI=1S/C25H26O2/c1-14-6-5-7-20-12-22-17(4)24(16(3)15(2)23(22)13-21(14)20)18-8-10-19(11-9-18)25(26)27/h8-14H,5-7H2,1-4H3,(H,26,27)
InChIKeyVCXGFWOVXWNHSI-UHFFFAOYSA-N
MW358.48 g/mol
LogP6.57
Rot. Bonds2

About 4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid

4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid (PubChem CID 67720642) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid
PubChem CID67720642
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid
SMILESCc1c(-c2ccc(C(=O)O)cc2)c(C)c2cc3c(cc2c1C)C(C)CCC3
InChIInChI=1S/C25H26O2/c1-14-6-5-7-20-12-22-17(4)24(16(3)15(2)23(22)13-21(14)20)18-8-10-19(11-9-18)25(26)27/h8-14H,5-7H2,1-4H3,(H,26,27)
InChIKeyVCXGFWOVXWNHSI-UHFFFAOYSA-N
XLogP6.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)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-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid?
The IUPAC name of 4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid (CID 67720642) is 4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid.
What is the SMILES notation for 4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid?
The canonical SMILES for 4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid is Cc1c(-c2ccc(C(=O)O)cc2)c(C)c2cc3c(cc2c1C)C(C)CCC3.
What is the InChIKey of 4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid?
The InChIKey is VCXGFWOVXWNHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O2/c1-14-6-5-7-20-12-22-17(4)24(16(3)15(2)23(22)13-21(14)20)18-8-10-19(11-9-18)25(26)27/h8-14H,5-7H2,1-4H3,(H,26,27).
What are the key properties of 4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid?
4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid has a molecular weight of 358.48 g/mol, XLogP of 6.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4,5-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)benzoic acid is sourced from PubChem (CID 67720642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).