[4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone

C22H18Cl2O3 — CID 122186216

IUPAC[4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1
InChIInChI=1S/C22H18Cl2O3/c1-12(2)13-3-5-14(6-4-13)22(27)16-9-19(25)21(20(26)10-16)15-7-17(23)11-18(24)8-15/h3-12,25-26H,1-2H3
InChIKeyNQDJGUANMDXDMU-UHFFFAOYSA-N
MW401.29 g/mol
LogP6.43
Rot. Bonds4

About [4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone

[4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone (PubChem CID 122186216) has the molecular formula C22H18Cl2O3 and a molecular weight of 401.29 g/mol. Its IUPAC name is [4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone
PubChem CID122186216
Molecular FormulaC22H18Cl2O3
Molecular Weight401.29 g/mol
Exact Mass400.06
IUPAC Name[4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1
InChIInChI=1S/C22H18Cl2O3/c1-12(2)13-3-5-14(6-4-13)22(27)16-9-19(25)21(20(26)10-16)15-7-17(23)11-18(24)8-15/h3-12,25-26H,1-2H3
InChIKeyNQDJGUANMDXDMU-UHFFFAOYSA-N
XLogP6.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.29
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-phenylmethanone
CID 25030040
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
(4-fluoro-3,5-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 65299129
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
(3,5-dichlorophenyl)-(4-ethylphenyl)methanone
CID 24723207
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968359
(4-methylphenyl)-[4-[2-[4-(4-propan-2-ylbenzoyl)phenyl]ethynyl]phenyl]methanone
CID 91278479
(3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625107
6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol
CID 163506374
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43625045

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone (CID 122186216) is [4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1.
What is the InChIKey of [4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is NQDJGUANMDXDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2O3/c1-12(2)13-3-5-14(6-4-13)22(27)16-9-19(25)21(20(26)10-16)15-7-17(23)11-18(24)8-15/h3-12,25-26H,1-2H3.
What are the key properties of [4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone?
[4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 401.29 g/mol, XLogP of 6.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 122186216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).