3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid

C16H24O3 — CID 62930718

IUPAC3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid
SMILESCC(C)Oc1ccc(CCC(C)(C)CC(=O)O)cc1
InChIInChI=1S/C16H24O3/c1-12(2)19-14-7-5-13(6-8-14)9-10-16(3,4)11-15(17)18/h5-8,12H,9-11H2,1-4H3,(H,17,18)
InChIKeyVZVPFEABMGGQCZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.91
Rot. Bonds7

About 3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid

3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid (PubChem CID 62930718) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid
PubChem CID62930718
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid
SMILESCC(C)Oc1ccc(CCC(C)(C)CC(=O)O)cc1
InChIInChI=1S/C16H24O3/c1-12(2)19-14-7-5-13(6-8-14)9-10-16(3,4)11-15(17)18/h5-8,12H,9-11H2,1-4H3,(H,17,18)
InChIKeyVZVPFEABMGGQCZ-UHFFFAOYSA-N
XLogP3.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 63535833
2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 65300788
5-(4-iodophenyl)-3,3-dimethylpentanoic acid
CID 62930555
3,3-dimethyl-5-phenylpentanoic acid;ethane;propane
CID 142907500
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid
CID 65236992
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
2-(4-propan-2-yloxyanilino)acetic acid
CID 28969819
N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304298
2-hydroxy-2-[2-[4-(3-propan-2-yloxyphenyl)phenyl]ethyl]butanedioic acid
CID 177382807
2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 115127961
4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid
CID 94966713
3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid
CID 65233979

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid?
The IUPAC name of 3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid (CID 62930718) is 3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid is CC(C)Oc1ccc(CCC(C)(C)CC(=O)O)cc1.
What is the InChIKey of 3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid?
The InChIKey is VZVPFEABMGGQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-12(2)19-14-7-5-13(6-8-14)9-10-16(3,4)11-15(17)18/h5-8,12H,9-11H2,1-4H3,(H,17,18).
What are the key properties of 3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid?
3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid is sourced from PubChem (CID 62930718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).