2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid

C12H14O3 — CID 82077265

IUPAC2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1cccc(C2(CC(=O)O)CC2)c1
InChIInChI=1S/C12H14O3/c1-15-10-4-2-3-9(7-10)12(5-6-12)8-11(13)14/h2-4,7H,5-6,8H2,1H3,(H,13,14)
InChIKeyUNCNHIVJXHJOIT-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.20
Rot. Bonds4

About 2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid

2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid (PubChem CID 82077265) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
PubChem CID82077265
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1cccc(C2(CC(=O)O)CC2)c1
InChIInChI=1S/C12H14O3/c1-15-10-4-2-3-9(7-10)12(5-6-12)8-11(13)14/h2-4,7H,5-6,8H2,1H3,(H,13,14)
InChIKeyUNCNHIVJXHJOIT-UHFFFAOYSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
CID 170751280
2-(carboxymethyl)-2-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23345433
cis-(1S,2R)-2-(carboxymethyl)-2-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 70627225
3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propanoic acid
CID 71401256
2-[1-[3-(oxan-3-yloxy)phenyl]cyclopropyl]acetic acid
CID 117442548
2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid
CID 117453777
4-[[[1-(3-methoxyphenyl)cyclopropyl]methylcarbamoylamino]methyl]benzoic acid
CID 122014637
2-[1-[3-(methylsulfonylmethyl)phenyl]cyclopropyl]acetic acid
CID 117424606
2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117340088
2-[1-(4-methoxy-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117384277
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid (CID 82077265) is 2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid is COc1cccc(C2(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid?
The InChIKey is UNCNHIVJXHJOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-10-4-2-3-9(7-10)12(5-6-12)8-11(13)14/h2-4,7H,5-6,8H2,1H3,(H,13,14).
What are the key properties of 2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid?
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid has a molecular weight of 206.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 82077265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).