1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one

C16H14Cl2O2 — CID 58192631

IUPAC1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one
SMILESO=C(CCc1ccccc1)Cc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C16H14Cl2O2/c17-14-9-12(10-15(18)16(14)20)8-13(19)7-6-11-4-2-1-3-5-11/h1-5,9-10,20H,6-8H2
InChIKeyYVFFUNILUOMTLI-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.44
Rot. Bonds5

About 1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one

1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one (PubChem CID 58192631) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one
PubChem CID58192631
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one
SMILESO=C(CCc1ccccc1)Cc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C16H14Cl2O2/c17-14-9-12(10-15(18)16(14)20)8-13(19)7-6-11-4-2-1-3-5-11/h1-5,9-10,20H,6-8H2
InChIKeyYVFFUNILUOMTLI-UHFFFAOYSA-N
XLogP4.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one?
The IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one (CID 58192631) is 1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one.
What is the SMILES notation for 1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one?
The canonical SMILES for 1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one is O=C(CCc1ccccc1)Cc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one?
The InChIKey is YVFFUNILUOMTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c17-14-9-12(10-15(18)16(14)20)8-13(19)7-6-11-4-2-1-3-5-11/h1-5,9-10,20H,6-8H2.
What are the key properties of 1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one?
1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one has a molecular weight of 309.19 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-hydroxyphenyl)-4-phenylbutan-2-one is sourced from PubChem (CID 58192631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).