2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid

C15H22O3 — CID 4992587

IUPAC2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
SMILESCCOc1ccc(C(C)(C)CC)cc1CC(=O)O
InChIInChI=1S/C15H22O3/c1-5-15(3,4)12-7-8-13(18-6-2)11(9-12)10-14(16)17/h7-9H,5-6,10H2,1-4H3,(H,16,17)
InChIKeyTURYCRFUYZCOKN-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.40
Rot. Bonds6

About 2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid

2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid (PubChem CID 4992587) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
PubChem CID4992587
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
SMILESCCOc1ccc(C(C)(C)CC)cc1CC(=O)O
InChIInChI=1S/C15H22O3/c1-5-15(3,4)12-7-8-13(18-6-2)11(9-12)10-14(16)17/h7-9H,5-6,10H2,1-4H3,(H,16,17)
InChIKeyTURYCRFUYZCOKN-UHFFFAOYSA-N
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
CID 82553794
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid
CID 71089254
2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 3935984
1-bromo-3-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-2-one
CID 134616279
2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 117383995
1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one
CID 82053491
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257
[2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid
CID 115171411
1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
CID 170893780

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid (CID 4992587) is 2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid is CCOc1ccc(C(C)(C)CC)cc1CC(=O)O.
What is the InChIKey of 2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid?
The InChIKey is TURYCRFUYZCOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-15(3,4)12-7-8-13(18-6-2)11(9-12)10-14(16)17/h7-9H,5-6,10H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid?
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid has a molecular weight of 250.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid is sourced from PubChem (CID 4992587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).