3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid

C14H20O3 — CID 70957387

IUPAC3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid
SMILESCCCc1cc(CC(C)C(=O)O)ccc1OC
InChIInChI=1S/C14H20O3/c1-4-5-12-9-11(6-7-13(12)17-3)8-10(2)14(15)16/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyUNUWCWZJOYRWJW-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.91
Rot. Bonds6

About 3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid

3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid (PubChem CID 70957387) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid
PubChem CID70957387
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid
SMILESCCCc1cc(CC(C)C(=O)O)ccc1OC
InChIInChI=1S/C14H20O3/c1-4-5-12-9-11(6-7-13(12)17-3)8-10(2)14(15)16/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyUNUWCWZJOYRWJW-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate
CID 58566780
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
CID 84674441
2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid
CID 115005494
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 117041938
3-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117384067
4-(difluoromethyl)-1-methoxy-2-propylbenzene
CID 165125714
3-(3-cyclohexyl-4-methoxyphenyl)-2-methylpropanoic acid
CID 117442816
1-(3,4-dimethoxyphenyl)-2-methylpentan-3-one
CID 79019340
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid (CID 70957387) is 3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid is CCCc1cc(CC(C)C(=O)O)ccc1OC.
What is the InChIKey of 3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid?
The InChIKey is UNUWCWZJOYRWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-5-12-9-11(6-7-13(12)17-3)8-10(2)14(15)16/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid?
3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 70957387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).