4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene

C26H26O2 — CID 144517127

IUPAC4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene
SMILESCc1ccc(C(=O)O)cc1.Cc1ccccc1CCC1=Cc2ccccc2C1
InChIInChI=1S/C18H18.C8H8O2/c1-14-6-2-3-7-16(14)11-10-15-12-17-8-4-5-9-18(17)13-15;1-6-2-4-7(5-3-6)8(9)10/h2-9,12H,10-11,13H2,1H3;2-5H,1H3,(H,9,10)
InChIKeyZSZZKBZSLUYMNT-UHFFFAOYSA-N
MW370.49 g/mol
LogP6.26
Rot. Bonds4

About 4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene

4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene (PubChem CID 144517127) has the molecular formula C26H26O2 and a molecular weight of 370.49 g/mol. Its IUPAC name is 4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene.

Molecular Properties

Compound Name4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene
PubChem CID144517127
Molecular FormulaC26H26O2
Molecular Weight370.49 g/mol
Exact Mass370.19
IUPAC Name4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene
SMILESCc1ccc(C(=O)O)cc1.Cc1ccccc1CCC1=Cc2ccccc2C1
InChIInChI=1S/C18H18.C8H8O2/c1-14-6-2-3-7-16(14)11-10-15-12-17-8-4-5-9-18(17)13-15;1-6-2-4-7(5-3-6)8(9)10/h2-9,12H,10-11,13H2,1H3;2-5H,1H3,(H,9,10)
InChIKeyZSZZKBZSLUYMNT-UHFFFAOYSA-N
XLogP6.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene?
The IUPAC name of 4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene (CID 144517127) is 4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene.
What is the SMILES notation for 4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene?
The canonical SMILES for 4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene is Cc1ccc(C(=O)O)cc1.Cc1ccccc1CCC1=Cc2ccccc2C1.
What is the InChIKey of 4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene?
The InChIKey is ZSZZKBZSLUYMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18.C8H8O2/c1-14-6-2-3-7-16(14)11-10-15-12-17-8-4-5-9-18(17)13-15;1-6-2-4-7(5-3-6)8(9)10/h2-9,12H,10-11,13H2,1H3;2-5H,1H3,(H,9,10).
What are the key properties of 4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene?
4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene has a molecular weight of 370.49 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene is sourced from PubChem (CID 144517127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).