2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid

C11H13BrO3 — CID 83903987

IUPAC2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid
SMILESCC(C)Oc1cccc(Br)c1CC(=O)O
InChIInChI=1S/C11H13BrO3/c1-7(2)15-10-5-3-4-9(12)8(10)6-11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyHGMRMOHJRMNMHM-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.86
Rot. Bonds4

About 2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid

2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid (PubChem CID 83903987) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid
PubChem CID83903987
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid
SMILESCC(C)Oc1cccc(Br)c1CC(=O)O
InChIInChI=1S/C11H13BrO3/c1-7(2)15-10-5-3-4-9(12)8(10)6-11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyHGMRMOHJRMNMHM-UHFFFAOYSA-N
XLogP2.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-6-methylphenyl)acetic acid
CID 84736031
2-(2-bromo-6-chlorophenyl)acetic acid
CID 53446365
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
2-bromo-1,3-di(propan-2-yloxy)benzene
CID 102493711
(3R)-3-(2,6-dibromophenoxy)butanoic acid
CID 103547748
2-[2-(2-bromopropanoyl)-6-methoxyphenyl]acetic acid
CID 170838227
2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid
CID 118826177
(2-ethyl-3-propan-2-yloxyphenyl) acetate
CID 151326278
1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one
CID 134615503
2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119218421
(2-bromo-6-pentan-2-yloxyphenyl)methanamine
CID 102980133
3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 55872825

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid?
The IUPAC name of 2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid (CID 83903987) is 2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid is CC(C)Oc1cccc(Br)c1CC(=O)O.
What is the InChIKey of 2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid?
The InChIKey is HGMRMOHJRMNMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-7(2)15-10-5-3-4-9(12)8(10)6-11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid?
2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid has a molecular weight of 273.13 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid is sourced from PubChem (CID 83903987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).