2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid

C14H18O3 — CID 117107629

IUPAC2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid
SMILESCC(C)(O)c1ccccc1C1(CC(=O)O)CC1
InChIInChI=1S/C14H18O3/c1-13(2,17)10-5-3-4-6-11(10)14(7-8-14)9-12(15)16/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyUBJUVWNKWCRFQW-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.42
Rot. Bonds4

About 2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid

2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid (PubChem CID 117107629) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid
PubChem CID117107629
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid
SMILESCC(C)(O)c1ccccc1C1(CC(=O)O)CC1
InChIInChI=1S/C14H18O3/c1-13(2,17)10-5-3-4-6-11(10)14(7-8-14)9-12(15)16/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyUBJUVWNKWCRFQW-UHFFFAOYSA-N
XLogP2.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid
CID 117373794
1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117112248
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol
CID 117113245
2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid
CID 84790886
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
CID 117113373
2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
CID 117365328
2-[1-(2-methylphenyl)cyclobutyl]acetic acid
CID 83687028
2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid
CID 117371219
2-[1-[2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787394
1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropan-1-ol
CID 117113871

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid (CID 117107629) is 2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid is CC(C)(O)c1ccccc1C1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid?
The InChIKey is UBJUVWNKWCRFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-13(2,17)10-5-3-4-6-11(10)14(7-8-14)9-12(15)16/h3-6,17H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid?
2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid has a molecular weight of 234.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117107629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).