(2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid

C11H10Br2O3 — CID 138684182

IUPAC(2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid
SMILESO=C(O)[C@@H](Oc1ccc(Br)cc1Br)C1CC1
InChIInChI=1S/C11H10Br2O3/c12-7-3-4-9(8(13)5-7)16-10(11(14)15)6-1-2-6/h3-6,10H,1-2H2,(H,14,15)/t10-/m0/s1
InChIKeyHKTYYPBPGOSNAL-JTQLQIEISA-N
MW350.01 g/mol
LogP3.45
Rot. Bonds4

About (2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid

(2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid (PubChem CID 138684182) has the molecular formula C11H10Br2O3 and a molecular weight of 350.01 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid
PubChem CID138684182
Molecular FormulaC11H10Br2O3
Molecular Weight350.01 g/mol
Exact Mass347.90
IUPAC Name(2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid
SMILESO=C(O)[C@@H](Oc1ccc(Br)cc1Br)C1CC1
InChIInChI=1S/C11H10Br2O3/c12-7-3-4-9(8(13)5-7)16-10(11(14)15)6-1-2-6/h3-6,10H,1-2H2,(H,14,15)/t10-/m0/s1
InChIKeyHKTYYPBPGOSNAL-JTQLQIEISA-N
XLogP3.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.01
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid
CID 114671590
bis(2,4-dibromophenyl) carbonate
CID 54492294
(2,4-dibromophenyl) cyclopropanecarboxylate
CID 836257
4-(2,4-dibromophenoxy)pentanoic acid
CID 62214514
3-(2,4-dibromophenoxy)-2-methylpropanoic acid
CID 43538016
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone
CID 116708933
(2,4-dibromophenyl) 2-hydroxyacetate
CID 130668337
4-chloro-2-(2,4-dibromophenoxy)butanoate
CID 57361990
ethyl 2-(2,4-dibromophenoxy)butanoate
CID 60730897
(2,4-dibromophenyl) carbonofluoridate
CID 165349274
2-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylamino]-2-cyclopropylacetic acid
CID 76954405
(2S)-2-(2,4-dibromophenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 124680092

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid?
The IUPAC name of (2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid (CID 138684182) is (2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid.
What is the SMILES notation for (2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid?
The canonical SMILES for (2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid is O=C(O)[C@@H](Oc1ccc(Br)cc1Br)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid?
The InChIKey is HKTYYPBPGOSNAL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H10Br2O3/c12-7-3-4-9(8(13)5-7)16-10(11(14)15)6-1-2-6/h3-6,10H,1-2H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid?
(2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid has a molecular weight of 350.01 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid is sourced from PubChem (CID 138684182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).