2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid

C15H20O3 — CID 117373794

IUPAC2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid
SMILESCC(C)(C)c1cccc(C2(CC(=O)O)CC2)c1O
InChIInChI=1S/C15H20O3/c1-14(2,3)10-5-4-6-11(13(10)18)15(7-8-15)9-12(16)17/h4-6,18H,7-9H2,1-3H3,(H,16,17)
InChIKeyBMZLVRHYUWWQGB-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.20
Rot. Bonds3

About 2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid

2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid (PubChem CID 117373794) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid
PubChem CID117373794
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid
SMILESCC(C)(C)c1cccc(C2(CC(=O)O)CC2)c1O
InChIInChI=1S/C15H20O3/c1-14(2,3)10-5-4-6-11(13(10)18)15(7-8-15)9-12(16)17/h4-6,18H,7-9H2,1-3H3,(H,16,17)
InChIKeyBMZLVRHYUWWQGB-UHFFFAOYSA-N
XLogP3.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117107629
2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117344690
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid
CID 82289741
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
CID 84789631
2-[1-(2-methylphenyl)cyclobutyl]acetic acid
CID 83687028
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
CID 117410634
2-[1-(1,2-benzoxazol-4-yl)cyclopropyl]acetic acid
CID 84785120
2-[1-[2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787394
2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid
CID 117371219

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid (CID 117373794) is 2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid is CC(C)(C)c1cccc(C2(CC(=O)O)CC2)c1O.
What is the InChIKey of 2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid?
The InChIKey is BMZLVRHYUWWQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-14(2,3)10-5-4-6-11(13(10)18)15(7-8-15)9-12(16)17/h4-6,18H,7-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid?
2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid has a molecular weight of 248.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117373794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).