4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid

C17H18O3 — CID 150553095

IUPAC4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid
SMILESCOc1cc(-c2ccccc2)c(C(=O)O)cc1C(C)C
InChIInChI=1S/C17H18O3/c1-11(2)13-9-15(17(18)19)14(10-16(13)20-3)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,18,19)
InChIKeyIIGZHNITLPKGEF-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.18
Rot. Bonds4

About 4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid

4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid (PubChem CID 150553095) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid
PubChem CID150553095
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid
SMILESCOc1cc(-c2ccccc2)c(C(=O)O)cc1C(C)C
InChIInChI=1S/C17H18O3/c1-11(2)13-9-15(17(18)19)14(10-16(13)20-3)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,18,19)
InChIKeyIIGZHNITLPKGEF-UHFFFAOYSA-N
XLogP4.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-methoxy-4-phenylbenzoic acid
CID 170991634
4,5-dimethoxy-2-phenylbenzamide
CID 141317116
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
CID 68974432
4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606
1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 158713023
2-methoxy-N-[(4-phenyl-3-propan-2-ylphenyl)carbamoyl]benzamide
CID 70689618
3-methoxy-4-propan-2-ylbenzoic acid
CID 20750185
4-methoxy-1-phenylnaphthalene-2-carboxylic acid
CID 12870686
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
(2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone
CID 68971573
2-(3,4-dimethoxyphenyl)-1-(4,5-dimethoxy-2-phenylphenyl)-2-phenylethanone
CID 101342771

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid?
The IUPAC name of 4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid (CID 150553095) is 4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid.
What is the SMILES notation for 4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid?
The canonical SMILES for 4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid is COc1cc(-c2ccccc2)c(C(=O)O)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid?
The InChIKey is IIGZHNITLPKGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11(2)13-9-15(17(18)19)14(10-16(13)20-3)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,18,19).
What are the key properties of 4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid?
4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid has a molecular weight of 270.33 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid is sourced from PubChem (CID 150553095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).