1,3-bis(4-hydroxyphenyl)propan-2-one

C30H28O6 — CID 159297209

IUPAC1,3-bis(4-hydroxyphenyl)propan-2-one
SMILESO=C(Cc1ccc(O)cc1)Cc1ccc(O)cc1.O=C(Cc1ccc(O)cc1)Cc1ccc(O)cc1
InChIInChI=1S/2C15H14O3/c2*16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12/h2*1-8,16-17H,9-10H2
InChIKeyLAWKYWBXPHTHIG-UHFFFAOYSA-N
MW484.55 g/mol
LogP4.90
Rot. Bonds8

About 1,3-bis(4-hydroxyphenyl)propan-2-one

1,3-bis(4-hydroxyphenyl)propan-2-one (PubChem CID 159297209) has the molecular formula C30H28O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is 1,3-bis(4-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1,3-bis(4-hydroxyphenyl)propan-2-one
PubChem CID159297209
Molecular FormulaC30H28O6
Molecular Weight484.55 g/mol
Exact Mass484.19
IUPAC Name1,3-bis(4-hydroxyphenyl)propan-2-one
SMILESO=C(Cc1ccc(O)cc1)Cc1ccc(O)cc1.O=C(Cc1ccc(O)cc1)Cc1ccc(O)cc1
InChIInChI=1S/2C15H14O3/c2*16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12/h2*1-8,16-17H,9-10H2
InChIKeyLAWKYWBXPHTHIG-UHFFFAOYSA-N
XLogP4.90
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one
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2-(4-hydroxyphenyl)acetamide;dihydrate
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4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one
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4-amino-1-(4-hydroxyphenyl)pentan-2-one
CID 116555956
7-amino-1-(4-hydroxyphenyl)heptan-2-one
CID 116550069
4-amino-1-(4-hydroxyphenyl)hexan-2-one
CID 116609109
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-hydroxyphenyl)propan-2-one?
The IUPAC name of 1,3-bis(4-hydroxyphenyl)propan-2-one (CID 159297209) is 1,3-bis(4-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1,3-bis(4-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1,3-bis(4-hydroxyphenyl)propan-2-one is O=C(Cc1ccc(O)cc1)Cc1ccc(O)cc1.O=C(Cc1ccc(O)cc1)Cc1ccc(O)cc1.
What is the InChIKey of 1,3-bis(4-hydroxyphenyl)propan-2-one?
The InChIKey is LAWKYWBXPHTHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14O3/c2*16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12/h2*1-8,16-17H,9-10H2.
What are the key properties of 1,3-bis(4-hydroxyphenyl)propan-2-one?
1,3-bis(4-hydroxyphenyl)propan-2-one has a molecular weight of 484.55 g/mol, XLogP of 4.90, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 159297209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).