(2R)-2-(4-bromophenyl)butanoic acid

C10H11BrO2 — CID 38988623

IUPAC(2R)-2-(4-bromophenyl)butanoic acid
SMILESCC[C@@H](C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyXVEFRABIRRNWFO-SECBINFHSA-N
MW243.10 g/mol
LogP3.03
Rot. Bonds3

About (2R)-2-(4-bromophenyl)butanoic acid

(2R)-2-(4-bromophenyl)butanoic acid (PubChem CID 38988623) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)butanoic acid
PubChem CID38988623
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name(2R)-2-(4-bromophenyl)butanoic acid
SMILESCC[C@@H](C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyXVEFRABIRRNWFO-SECBINFHSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-4-methylhexanoic acid
CID 79440321
2-(4-sulfanylphenyl)butanoic acid
CID 19823895
ethyl 2-(4-bromophenyl)butanoate
CID 57082745
S-methyl 2-(4-bromophenyl)butanethioate
CID 123364668
4-(4-bromophenyl)-2,2-dimethylhexan-3-one
CID 13458704
2-[4-(1-fluoroethyl)phenyl]butanoic acid
CID 175420495
2-(4-nitrosophenyl)butanoic acid
CID 175674505
2-(4-benzoylphenyl)butanoic acid
CID 22621594
2-(4-bromophenyl)pent-4-ynoic acid
CID 79440084
(2S)-2-(4-bromophenyl)-5-ethoxy-4-methyl-5-oxopentanoic acid
CID 90185729
2-(4-propan-2-ylsulfanylphenyl)butanoic acid
CID 16640883
2-(4-bromophenyl)-5-chloro-4-oxopentanoic acid
CID 123918918

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)butanoic acid?
The IUPAC name of (2R)-2-(4-bromophenyl)butanoic acid (CID 38988623) is (2R)-2-(4-bromophenyl)butanoic acid.
What is the SMILES notation for (2R)-2-(4-bromophenyl)butanoic acid?
The canonical SMILES for (2R)-2-(4-bromophenyl)butanoic acid is CC[C@@H](C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)butanoic acid?
The InChIKey is XVEFRABIRRNWFO-SECBINFHSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)butanoic acid?
(2R)-2-(4-bromophenyl)butanoic acid has a molecular weight of 243.10 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)butanoic acid is sourced from PubChem (CID 38988623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).