4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol

C15H14Cl2O2 — CID 83075227

IUPAC4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol
SMILESCC(O)(Cc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C15H14Cl2O2/c1-15(19,11-3-5-12(18)6-4-11)9-10-2-7-13(16)14(17)8-10/h2-8,18-19H,9H2,1H3
InChIKeyVIYQXPBENVPCHO-UHFFFAOYSA-N
MW297.18 g/mol
LogP4.15
Rot. Bonds3

About 4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol

4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol (PubChem CID 83075227) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol
PubChem CID83075227
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol
SMILESCC(O)(Cc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C15H14Cl2O2/c1-15(19,11-3-5-12(18)6-4-11)9-10-2-7-13(16)14(17)8-10/h2-8,18-19H,9H2,1H3
InChIKeyVIYQXPBENVPCHO-UHFFFAOYSA-N
XLogP4.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145380
1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol
CID 115467189
2-(2-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145288
3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal
CID 66039817
4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol
CID 102617435
4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol
CID 21293255
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
3-(3,4-dichlorophenyl)-2,2-dimethylpropanal
CID 14181025
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol
CID 103039094
4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol
CID 83075337
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol (CID 83075227) is 4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol is CC(O)(Cc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol?
The InChIKey is VIYQXPBENVPCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c1-15(19,11-3-5-12(18)6-4-11)9-10-2-7-13(16)14(17)8-10/h2-8,18-19H,9H2,1H3.
What are the key properties of 4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol?
4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol has a molecular weight of 297.18 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol is sourced from PubChem (CID 83075227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).