2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid

C16H22O3 — CID 83923523

IUPAC2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid
SMILESCCC(CC1CC1C(=O)O)c1c(C)cc(O)cc1C
InChIInChI=1S/C16H22O3/c1-4-11(7-12-8-14(12)16(18)19)15-9(2)5-13(17)6-10(15)3/h5-6,11-12,14,17H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyLFVFNLOQTLWPPK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.61
Rot. Bonds5

About 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid

2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid (PubChem CID 83923523) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid
PubChem CID83923523
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid
SMILESCCC(CC1CC1C(=O)O)c1c(C)cc(O)cc1C
InChIInChI=1S/C16H22O3/c1-4-11(7-12-8-14(12)16(18)19)15-9(2)5-13(17)6-10(15)3/h5-6,11-12,14,17H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyLFVFNLOQTLWPPK-UHFFFAOYSA-N
XLogP3.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid (CID 83923523) is 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid is CCC(CC1CC1C(=O)O)c1c(C)cc(O)cc1C.
What is the InChIKey of 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid?
The InChIKey is LFVFNLOQTLWPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-4-11(7-12-8-14(12)16(18)19)15-9(2)5-13(17)6-10(15)3/h5-6,11-12,14,17H,4,7-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid?
2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83923523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).