(2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid

C14H10BrClO3 — CID 124505606

IUPAC(2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid
SMILESO=C(O)[C@@H](Oc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10BrClO3/c15-10-3-7-12(8-4-10)19-13(14(17)18)9-1-5-11(16)6-2-9/h1-8,13H,(H,17,18)/t13-/m0/s1
InChIKeyGXLOWQOWVZAESY-ZDUSSCGKSA-N
MW341.59 g/mol
LogP4.31
Rot. Bonds4

About (2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid

(2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid (PubChem CID 124505606) has the molecular formula C14H10BrClO3 and a molecular weight of 341.59 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid
PubChem CID124505606
Molecular FormulaC14H10BrClO3
Molecular Weight341.59 g/mol
Exact Mass339.95
IUPAC Name(2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid
SMILESO=C(O)[C@@H](Oc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10BrClO3/c15-10-3-7-12(8-4-10)19-13(14(17)18)9-1-5-11(16)6-2-9/h1-8,13H,(H,17,18)/t13-/m0/s1
InChIKeyGXLOWQOWVZAESY-ZDUSSCGKSA-N
XLogP4.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid
CID 67078978
2-(4-chlorophenoxy)-2-[4-[2-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761125
2-(4-butanoylphenoxy)-2-(4-chlorophenyl)acetic acid
CID 154115811
(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid
CID 86332935
(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-(4-bromophenyl)acetic acid
CID 23540581
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
CID 42252726
2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid
CID 22683110
2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
CID 54890320
2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid
CID 83223627

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid?
The IUPAC name of (2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid (CID 124505606) is (2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid is O=C(O)[C@@H](Oc1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid?
The InChIKey is GXLOWQOWVZAESY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H10BrClO3/c15-10-3-7-12(8-4-10)19-13(14(17)18)9-1-5-11(16)6-2-9/h1-8,13H,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid?
(2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid has a molecular weight of 341.59 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)-2-(4-chlorophenyl)acetic acid is sourced from PubChem (CID 124505606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).