3,5-dibromo-2-propoxybenzoic acid

C10H10Br2O3 — CID 8707159

IUPAC3,5-dibromo-2-propoxybenzoic acid
SMILESCCCOc1c(Br)cc(Br)cc1C(=O)O
InChIInChI=1S/C10H10Br2O3/c1-2-3-15-9-7(10(13)14)4-6(11)5-8(9)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyQSRIFXJONJFTPO-UHFFFAOYSA-N
MW338.00 g/mol
LogP3.70
Rot. Bonds4

About 3,5-dibromo-2-propoxybenzoic acid

3,5-dibromo-2-propoxybenzoic acid (PubChem CID 8707159) has the molecular formula C10H10Br2O3 and a molecular weight of 338.00 g/mol. Its IUPAC name is 3,5-dibromo-2-propoxybenzoic acid.

Molecular Properties

Compound Name3,5-dibromo-2-propoxybenzoic acid
PubChem CID8707159
Molecular FormulaC10H10Br2O3
Molecular Weight338.00 g/mol
Exact Mass335.90
IUPAC Name3,5-dibromo-2-propoxybenzoic acid
SMILESCCCOc1c(Br)cc(Br)cc1C(=O)O
InChIInChI=1S/C10H10Br2O3/c1-2-3-15-9-7(10(13)14)4-6(11)5-8(9)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyQSRIFXJONJFTPO-UHFFFAOYSA-N
XLogP3.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-butoxy-5-methylbenzoic acid
CID 146035502
3,5-dibromo-2-methoxybenzoic acid
CID 643392
3,5-dibromo-2-propoxybenzaldehyde
CID 2167921
3,5-dibromo-2-ethoxybenzamide
CID 50880217
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3-bromo-5-hydroxy-4-propoxyphthalic acid
CID 174437487
5-bromo-2-(3-methoxypropoxy)-3-methylbenzoic acid
CID 112620911
3,5-dibromo-2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]benzoic acid
CID 44516892
3,5-dibromo-2-(trifluoromethoxy)benzoic acid
CID 154611943
5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-methylbenzoic acid
CID 112620899
2-[3-[2-[2-[2-[3,5-bis[(2,4-dibromo-6-carboxyphenoxy)carbonyl]phenoxy]ethoxy]ethoxy]ethoxy]-5-(2,4-dibromo-6-carboxyphenoxy)carbonylbenzoyl]oxy-3,5-dibromobenzoic acid
CID 100965336
3,5-dibromo-2-(3-ethyl-5-methylbenzoyl)oxybenzoic acid
CID 177194260

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-propoxybenzoic acid?
The IUPAC name of 3,5-dibromo-2-propoxybenzoic acid (CID 8707159) is 3,5-dibromo-2-propoxybenzoic acid.
What is the SMILES notation for 3,5-dibromo-2-propoxybenzoic acid?
The canonical SMILES for 3,5-dibromo-2-propoxybenzoic acid is CCCOc1c(Br)cc(Br)cc1C(=O)O.
What is the InChIKey of 3,5-dibromo-2-propoxybenzoic acid?
The InChIKey is QSRIFXJONJFTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O3/c1-2-3-15-9-7(10(13)14)4-6(11)5-8(9)12/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 3,5-dibromo-2-propoxybenzoic acid?
3,5-dibromo-2-propoxybenzoic acid has a molecular weight of 338.00 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-propoxybenzoic acid is sourced from PubChem (CID 8707159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).