2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid

C18H20O3 — CID 82039191

IUPAC2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid
SMILESCOc1ccc(C)cc1-c1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C18H20O3/c1-12-5-10-16(21-4)15(11-12)13-6-8-14(9-7-13)18(2,3)17(19)20/h5-11H,1-4H3,(H,19,20)
InChIKeyQYHHWGALSAVZMU-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.03
Rot. Bonds4

About 2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid

2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid (PubChem CID 82039191) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid
PubChem CID82039191
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid
SMILESCOc1ccc(C)cc1-c1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C18H20O3/c1-12-5-10-16(21-4)15(11-12)13-6-8-14(9-7-13)18(2,3)17(19)20/h5-11H,1-4H3,(H,19,20)
InChIKeyQYHHWGALSAVZMU-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-methyl-2-(4-methylphenyl)propanoate;2-methyl-2-(4-methylphenyl)propanoic acid
CID 160807405
2-(4-bromophenyl)-1-methoxy-4-methylbenzene
CID 83665556
[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl] hydrogen carbonate
CID 151936127
2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid
CID 141045302
2-(3-methoxy-4-sulfanylphenyl)-2-methylpropanoic acid
CID 22504943
3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid
CID 53226231
4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53218469
2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
CID 82131491
4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline
CID 20811410
2-(4-aminophenyl)-1-(2-methoxy-5-methylphenyl)-2-methylpropan-1-one
CID 116598819
2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid
CID 82092597
methyl 2-amino-4-(2-methoxy-5-methylphenyl)benzoate
CID 82572853

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid (CID 82039191) is 2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid is COc1ccc(C)cc1-c1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid?
The InChIKey is QYHHWGALSAVZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-5-10-16(21-4)15(11-12)13-6-8-14(9-7-13)18(2,3)17(19)20/h5-11H,1-4H3,(H,19,20).
What are the key properties of 2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid?
2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid has a molecular weight of 284.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 82039191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).