3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol

C16H16Br2O — CID 21322590

IUPAC3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol
SMILESCC(CCO)c1ccc(-c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H16Br2O/c1-11(8-9-19)12-2-4-13(5-3-12)15-7-6-14(17)10-16(15)18/h2-7,10-11,19H,8-9H2,1H3
InChIKeyFCPITLUNDLHHEY-UHFFFAOYSA-N
MW384.11 g/mol
LogP5.36
Rot. Bonds4

About 3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol

3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol (PubChem CID 21322590) has the molecular formula C16H16Br2O and a molecular weight of 384.11 g/mol. Its IUPAC name is 3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol
PubChem CID21322590
Molecular FormulaC16H16Br2O
Molecular Weight384.11 g/mol
Exact Mass381.96
IUPAC Name3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol
SMILESCC(CCO)c1ccc(-c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H16Br2O/c1-11(8-9-19)12-2-4-13(5-3-12)15-7-6-14(17)10-16(15)18/h2-7,10-11,19H,8-9H2,1H3
InChIKeyFCPITLUNDLHHEY-UHFFFAOYSA-N
XLogP5.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.11
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol?
The IUPAC name of 3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol (CID 21322590) is 3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol.
What is the SMILES notation for 3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol?
The canonical SMILES for 3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol is CC(CCO)c1ccc(-c2ccc(Br)cc2Br)cc1.
What is the InChIKey of 3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol?
The InChIKey is FCPITLUNDLHHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O/c1-11(8-9-19)12-2-4-13(5-3-12)15-7-6-14(17)10-16(15)18/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol?
3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol has a molecular weight of 384.11 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dibromophenyl)phenyl]butan-1-ol is sourced from PubChem (CID 21322590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).