4-[4-(4-bromophenyl)phenyl]butanoic acid

C16H15BrO2 — CID 21437969

IUPAC4-[4-(4-bromophenyl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrO2/c17-15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(18)19/h4-11H,1-3H2,(H,18,19)
InChIKeyLIXJWLMDIDCEBN-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.52
Rot. Bonds5

About 4-[4-(4-bromophenyl)phenyl]butanoic acid

4-[4-(4-bromophenyl)phenyl]butanoic acid (PubChem CID 21437969) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)phenyl]butanoic acid
PubChem CID21437969
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name4-[4-(4-bromophenyl)phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrO2/c17-15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(18)19/h4-11H,1-3H2,(H,18,19)
InChIKeyLIXJWLMDIDCEBN-UHFFFAOYSA-N
XLogP4.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid
CID 18683979
4-(4-bromophenyl)-N-hydroxybutanamide
CID 139305557
4-(4-iodophenyl)butanoic acid
CID 4645427
5-(4-bromophenyl)-1-phenylpentan-2-one
CID 157218581
3-[2-(4-bromophenyl)ethoxy]propanoic acid
CID 68701118
4-(4-bromophenyl)-N,N-dimethylbutanamide
CID 158418152
10-(4-methylphenyl)decanoic acid
CID 54262490
3-[4-(4-heptylphenyl)phenyl]propanoic acid
CID 21182264
4-[4-(furan-2-yl)phenyl]butanoic acid
CID 23005257
3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003
1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene
CID 157299042

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)phenyl]butanoic acid?
The IUPAC name of 4-[4-(4-bromophenyl)phenyl]butanoic acid (CID 21437969) is 4-[4-(4-bromophenyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-(4-bromophenyl)phenyl]butanoic acid?
The canonical SMILES for 4-[4-(4-bromophenyl)phenyl]butanoic acid is O=C(O)CCCc1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[4-(4-bromophenyl)phenyl]butanoic acid?
The InChIKey is LIXJWLMDIDCEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c17-15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(18)19/h4-11H,1-3H2,(H,18,19).
What are the key properties of 4-[4-(4-bromophenyl)phenyl]butanoic acid?
4-[4-(4-bromophenyl)phenyl]butanoic acid has a molecular weight of 319.20 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)phenyl]butanoic acid is sourced from PubChem (CID 21437969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).