2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid

C15H20O3 — CID 117373943

IUPAC2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid
SMILESCOC(C)(C)c1ccc(C2(CC(=O)O)CC2)cc1
InChIInChI=1S/C15H20O3/c1-14(2,18-3)11-4-6-12(7-5-11)15(8-9-15)10-13(16)17/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyFVQXCSGDENHVLN-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.07
Rot. Bonds5

About 2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid

2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid (PubChem CID 117373943) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid
PubChem CID117373943
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid
SMILESCOC(C)(C)c1ccc(C2(CC(=O)O)CC2)cc1
InChIInChI=1S/C15H20O3/c1-14(2,18-3)11-4-6-12(7-5-11)15(8-9-15)10-13(16)17/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyFVQXCSGDENHVLN-UHFFFAOYSA-N
XLogP3.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787396
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
2-[1-(4-methylsulfonyloxyphenyl)cyclopropyl]acetic acid
CID 117428980
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
CID 117410634
4-(2-methoxypropan-2-yl)benzoic acid
CID 18174432
2-[1-[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopropyl]acetic acid
CID 117492320
4-[2-[4-(1-ethylcyclobutyl)phenyl]propan-2-yloxycarbonyl]benzoic acid
CID 164986758
ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate
CID 144672012
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
2-[1-[3-chloro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117389821
2-[1-(4-methoxy-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117384277
2-[1-(4-aminophenyl)cyclobutyl]acetic acid
CID 21077925

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid (CID 117373943) is 2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid is COC(C)(C)c1ccc(C2(CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid?
The InChIKey is FVQXCSGDENHVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-14(2,18-3)11-4-6-12(7-5-11)15(8-9-15)10-13(16)17/h4-7H,8-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid?
2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid has a molecular weight of 248.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117373943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).