3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid

C15H22O4 — CID 82050366

IUPAC3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid
SMILESCC(C)Oc1ccc(CCC(=O)O)cc1OC(C)C
InChIInChI=1S/C15H22O4/c1-10(2)18-13-7-5-12(6-8-15(16)17)9-14(13)19-11(3)4/h5,7,9-11H,6,8H2,1-4H3,(H,16,17)
InChIKeySHHWELOZFIWBFF-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.28
Rot. Bonds7

About 3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid

3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid (PubChem CID 82050366) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid
PubChem CID82050366
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid
SMILESCC(C)Oc1ccc(CCC(=O)O)cc1OC(C)C
InChIInChI=1S/C15H22O4/c1-10(2)18-13-7-5-12(6-8-15(16)17)9-14(13)19-11(3)4/h5,7,9-11H,6,8H2,1-4H3,(H,16,17)
InChIKeySHHWELOZFIWBFF-UHFFFAOYSA-N
XLogP3.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 82051538
4-(4-methoxy-3-propan-2-yloxyphenyl)-2-oxobutanoic acid
CID 82185777
methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate
CID 82186161
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 82265548
3-[4-(difluoromethoxy)-3-iodophenyl]propanoic acid
CID 134622013
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]propanoic acid
CID 11015109
2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-methylamino]propanoic acid
CID 122036778
methyl 3-(3-tert-butyl-4-propan-2-yloxyphenyl)propanoate
CID 82554235
5-[3-(difluoromethoxy)-4-methoxyphenyl]pentanoic acid
CID 114193865
3-(3,4-dibenzoyloxyphenyl)propanoic acid
CID 19097459

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid?
The IUPAC name of 3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid (CID 82050366) is 3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid.
What is the SMILES notation for 3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid?
The canonical SMILES for 3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid is CC(C)Oc1ccc(CCC(=O)O)cc1OC(C)C.
What is the InChIKey of 3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid?
The InChIKey is SHHWELOZFIWBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-10(2)18-13-7-5-12(6-8-15(16)17)9-14(13)19-11(3)4/h5,7,9-11H,6,8H2,1-4H3,(H,16,17).
What are the key properties of 3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid?
3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid is sourced from PubChem (CID 82050366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).