2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid

C16H22O3 — CID 117410634

IUPAC2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1ccc(C(C)(C)C)cc1C1(CC(=O)O)CC1
InChIInChI=1S/C16H22O3/c1-15(2,3)11-5-6-13(19-4)12(9-11)16(7-8-16)10-14(17)18/h5-6,9H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyBDQIMOJSQOTLPF-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.50
Rot. Bonds4

About 2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid

2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid (PubChem CID 117410634) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
PubChem CID117410634
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1ccc(C(C)(C)C)cc1C1(CC(=O)O)CC1
InChIInChI=1S/C16H22O3/c1-15(2,3)11-5-6-13(19-4)12(9-11)16(7-8-16)10-14(17)18/h5-6,9H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyBDQIMOJSQOTLPF-UHFFFAOYSA-N
XLogP3.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 82296346
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopropyl]acetic acid
CID 117477593
2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446176
2-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]acetic acid
CID 117484005
[1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine
CID 98033979
2-[1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449948
2-[1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449951
2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 117344693
2-[1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449949
2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446172

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid (CID 117410634) is 2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid is COc1ccc(C(C)(C)C)cc1C1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid?
The InChIKey is BDQIMOJSQOTLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-15(2,3)11-5-6-13(19-4)12(9-11)16(7-8-16)10-14(17)18/h5-6,9H,7-8,10H2,1-4H3,(H,17,18).
What are the key properties of 2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid?
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid has a molecular weight of 262.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117410634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).