2-(3-tert-butyl-2-methoxyphenyl)acetic acid

C13H18O3 — CID 21199434

IUPAC2-(3-tert-butyl-2-methoxyphenyl)acetic acid
SMILESCOc1c(CC(=O)O)cccc1C(C)(C)C
InChIInChI=1S/C13H18O3/c1-13(2,3)10-7-5-6-9(8-11(14)15)12(10)16-4/h5-7H,8H2,1-4H3,(H,14,15)
InChIKeyZWATXQSVODRSCH-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.62
Rot. Bonds3

About 2-(3-tert-butyl-2-methoxyphenyl)acetic acid

2-(3-tert-butyl-2-methoxyphenyl)acetic acid (PubChem CID 21199434) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-tert-butyl-2-methoxyphenyl)acetic acid
PubChem CID21199434
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(3-tert-butyl-2-methoxyphenyl)acetic acid
SMILESCOc1c(CC(=O)O)cccc1C(C)(C)C
InChIInChI=1S/C13H18O3/c1-13(2,3)10-7-5-6-9(8-11(14)15)12(10)16-4/h5-7H,8H2,1-4H3,(H,14,15)
InChIKeyZWATXQSVODRSCH-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine
CID 57135698
2-[2-methoxy-3-(methoxymethyl)phenyl]acetic acid
CID 83884874
2-(3-acetyl-2-methoxyphenyl)acetic acid
CID 175626652
2-(5-bromo-3-tert-butyl-2-methoxyphenyl)acetic acid
CID 117485194
N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide
CID 134840619
2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
CID 117111517
3-[3-(1,1-difluoroethyl)-2-methoxyphenyl]-2,2-dimethylpropanoic acid
CID 117433409
N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide
CID 67640035
2-(3-ethyl-2-methoxyphenyl)propan-2-amine
CID 117284071
3-[2-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-methoxyphenyl]propanoic acid
CID 20987527
2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170997113
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-methoxyphenyl)acetic acid?
The IUPAC name of 2-(3-tert-butyl-2-methoxyphenyl)acetic acid (CID 21199434) is 2-(3-tert-butyl-2-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-tert-butyl-2-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-tert-butyl-2-methoxyphenyl)acetic acid is COc1c(CC(=O)O)cccc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-2-methoxyphenyl)acetic acid?
The InChIKey is ZWATXQSVODRSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-13(2,3)10-7-5-6-9(8-11(14)15)12(10)16-4/h5-7H,8H2,1-4H3,(H,14,15).
What are the key properties of 2-(3-tert-butyl-2-methoxyphenyl)acetic acid?
2-(3-tert-butyl-2-methoxyphenyl)acetic acid has a molecular weight of 222.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-methoxyphenyl)acetic acid is sourced from PubChem (CID 21199434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).