3-methyl-3-(3-propan-2-ylphenyl)butanoic acid

C14H20O2 — CID 117314732

IUPAC3-methyl-3-(3-propan-2-ylphenyl)butanoic acid
SMILESCC(C)c1cccc(C(C)(C)CC(=O)O)c1
InChIInChI=1S/C14H20O2/c1-10(2)11-6-5-7-12(8-11)14(3,4)9-13(15)16/h5-8,10H,9H2,1-4H3,(H,15,16)
InChIKeyCZDVONPLZWSNMW-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.56
Rot. Bonds4

About 3-methyl-3-(3-propan-2-ylphenyl)butanoic acid

3-methyl-3-(3-propan-2-ylphenyl)butanoic acid (PubChem CID 117314732) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-methyl-3-(3-propan-2-ylphenyl)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(3-propan-2-ylphenyl)butanoic acid
PubChem CID117314732
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-methyl-3-(3-propan-2-ylphenyl)butanoic acid
SMILESCC(C)c1cccc(C(C)(C)CC(=O)O)c1
InChIInChI=1S/C14H20O2/c1-10(2)11-6-5-7-12(8-11)14(3,4)9-13(15)16/h5-8,10H,9H2,1-4H3,(H,15,16)
InChIKeyCZDVONPLZWSNMW-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-(3-phenylphenyl)butanoic acid
CID 117389329
3-[3-(1,1-difluoroethyl)phenyl]-3-methylbutanoic acid
CID 117357567
3-(3-bromo-5-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117481908
3-[3-(2-fluoropropyl)phenyl]-3-methylbutanoic acid
CID 117349432
3-methyl-3-[3-(2,2,2-trifluoroethyl)phenyl]butanoic acid
CID 117404449
3-methyl-3-(9-propan-2-ylcarbazol-3-yl)butanoic acid
CID 117494202
3,3-bis[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]butanoic acid
CID 139605185
1-(2-methyl-2-phenylpropyl)-3-propan-2-ylbenzene
CID 145484957
3-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]butanoic acid
CID 117442851
1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol
CID 164919043
3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
CID 82476446
3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-3-methylbutanoic acid
CID 115112941

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-propan-2-ylphenyl)butanoic acid?
The IUPAC name of 3-methyl-3-(3-propan-2-ylphenyl)butanoic acid (CID 117314732) is 3-methyl-3-(3-propan-2-ylphenyl)butanoic acid.
What is the SMILES notation for 3-methyl-3-(3-propan-2-ylphenyl)butanoic acid?
The canonical SMILES for 3-methyl-3-(3-propan-2-ylphenyl)butanoic acid is CC(C)c1cccc(C(C)(C)CC(=O)O)c1.
What is the InChIKey of 3-methyl-3-(3-propan-2-ylphenyl)butanoic acid?
The InChIKey is CZDVONPLZWSNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)11-6-5-7-12(8-11)14(3,4)9-13(15)16/h5-8,10H,9H2,1-4H3,(H,15,16).
What are the key properties of 3-methyl-3-(3-propan-2-ylphenyl)butanoic acid?
3-methyl-3-(3-propan-2-ylphenyl)butanoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-propan-2-ylphenyl)butanoic acid is sourced from PubChem (CID 117314732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).