3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid

C15H22O3 — CID 115112839

IUPAC3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid
SMILESCOCC(C)(C)c1cccc(CC(C)C(=O)O)c1
InChIInChI=1S/C15H22O3/c1-11(14(16)17)8-12-6-5-7-13(9-12)15(2,3)10-18-4/h5-7,9,11H,8,10H2,1-4H3,(H,16,17)
InChIKeyPAUCVMHQPCYCGF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.87
Rot. Bonds6

About 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid

3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid (PubChem CID 115112839) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid
PubChem CID115112839
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid
SMILESCOCC(C)(C)c1cccc(CC(C)C(=O)O)c1
InChIInChI=1S/C15H22O3/c1-11(14(16)17)8-12-6-5-7-13(9-12)15(2,3)10-18-4/h5-7,9,11H,8,10H2,1-4H3,(H,16,17)
InChIKeyPAUCVMHQPCYCGF-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one
CID 117114961
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
(2R)-3-(3-tert-butylsulfonylphenyl)-2-methylpropanoic acid
CID 70069669
3-[3-(2,2-difluoropropyl)phenyl]-2-methylpropanoic acid
CID 84703295
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol
CID 117117618
3-(3-aminophenyl)-2-methylpropanoic acid
CID 66894775
N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine
CID 117107418
3-[3-(2-fluoropropyl)phenyl]-3-methylbutanoic acid
CID 117349432
3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid
CID 115112810
CID 67530586
CID 67530586
O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine
CID 117111409
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid (CID 115112839) is 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid is COCC(C)(C)c1cccc(CC(C)C(=O)O)c1.
What is the InChIKey of 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid?
The InChIKey is PAUCVMHQPCYCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11(14(16)17)8-12-6-5-7-13(9-12)15(2,3)10-18-4/h5-7,9,11H,8,10H2,1-4H3,(H,16,17).
What are the key properties of 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid?
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid has a molecular weight of 250.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 115112839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).