2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid

C26H36O2 — CID 175156186

IUPAC2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid
SMILESCc1cccc(CCc2ccc(C(C)C)c(C(C)C)c2C(C)C)c1CC(=O)O
InChIInChI=1S/C26H36O2/c1-16(2)22-14-13-21(25(17(3)4)26(22)18(5)6)12-11-20-10-8-9-19(7)23(20)15-24(27)28/h8-10,13-14,16-18H,11-12,15H2,1-7H3,(H,27,28)
InChIKeyDGXGQPXSGHINBX-UHFFFAOYSA-N
MW380.57 g/mol
LogP6.78
Rot. Bonds8

About 2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid

2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid (PubChem CID 175156186) has the molecular formula C26H36O2 and a molecular weight of 380.57 g/mol. Its IUPAC name is 2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid
PubChem CID175156186
Molecular FormulaC26H36O2
Molecular Weight380.57 g/mol
Exact Mass380.27
IUPAC Name2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid
SMILESCc1cccc(CCc2ccc(C(C)C)c(C(C)C)c2C(C)C)c1CC(=O)O
InChIInChI=1S/C26H36O2/c1-16(2)22-14-13-21(25(17(3)4)26(22)18(5)6)12-11-20-10-8-9-19(7)23(20)15-24(27)28/h8-10,13-14,16-18H,11-12,15H2,1-7H3,(H,27,28)
InChIKeyDGXGQPXSGHINBX-UHFFFAOYSA-N
XLogP6.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(3-ethoxy-3-oxopropyl)-6-methylphenyl]acetic acid
CID 134614862
1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide
CID 172751409
2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid
CID 84676017
2-(2-bromo-6-methylphenyl)acetic acid
CID 84736031
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
1-[4-methyl-2-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]cyclopentane-1-carboxylic acid
CID 175144029
2-(2-methylphenyl)acetic acid
CID 67440217
2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid
CID 137459361
3-[2-[2,3-di(propan-2-yl)phenoxy]phenyl]propanoic acid
CID 57261152
3-(2-ethyl-6-methylphenyl)propanoic acid
CID 82158159
1-(chloromethyl)-2,3,4-tri(propan-2-yl)benzene
CID 70608971
1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene
CID 140816630

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid?
The IUPAC name of 2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid (CID 175156186) is 2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid is Cc1cccc(CCc2ccc(C(C)C)c(C(C)C)c2C(C)C)c1CC(=O)O.
What is the InChIKey of 2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid?
The InChIKey is DGXGQPXSGHINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O2/c1-16(2)22-14-13-21(25(17(3)4)26(22)18(5)6)12-11-20-10-8-9-19(7)23(20)15-24(27)28/h8-10,13-14,16-18H,11-12,15H2,1-7H3,(H,27,28).
What are the key properties of 2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid?
2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid has a molecular weight of 380.57 g/mol, XLogP of 6.78, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid is sourced from PubChem (CID 175156186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).