4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol

C19H16Cl2O2 — CID 170985342

IUPAC4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol
SMILESCC(C)(O)c1cc(O)c2ccccc2c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H16Cl2O2/c1-19(2,23)16-10-17(22)14-5-3-4-6-15(14)18(16)11-7-12(20)9-13(21)8-11/h3-10,22-23H,1-2H3
InChIKeyTVKUWWSEYHRVOJ-UHFFFAOYSA-N
MW347.24 g/mol
LogP5.75
Rot. Bonds2

About 4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol

4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol (PubChem CID 170985342) has the molecular formula C19H16Cl2O2 and a molecular weight of 347.24 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol
PubChem CID170985342
Molecular FormulaC19H16Cl2O2
Molecular Weight347.24 g/mol
Exact Mass346.05
IUPAC Name4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol
SMILESCC(C)(O)c1cc(O)c2ccccc2c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H16Cl2O2/c1-19(2,23)16-10-17(22)14-5-3-4-6-15(14)18(16)11-7-12(20)9-13(21)8-11/h3-10,22-23H,1-2H3
InChIKeyTVKUWWSEYHRVOJ-UHFFFAOYSA-N
XLogP5.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.24
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethenyl-1-methyl-2,7-phenanthrenediol
CID 5316810
4-Chlorophenyl-bis(2-hydroxy-1-naphthyl)methane
CID 47966
1-Chloro-6-(4-hydroxyphenyl)-2-naphthol
CID 6102690
1,8-Dichloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol
CID 10149584
8-Chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol
CID 10214699
6-(3-Chloro-4-hydroxy-phenyl)-naphthalen-2-ol
CID 10286087
6-(4-Hydroxyphenyl)-1-naphthol
CID 10308021
6-(4-Hydroxy-phenyl)-1-methyl-naphthalen-2-ol
CID 10308075
6-(2-Chloro-4-hydroxy-phenyl)-naphthalen-2-ol
CID 10308197
6-(2-Hydroxyphenyl)-2-naphthol
CID 11368353
1-Chloro-6-(3-chloro-4-hydroxyphenyl)-2-naphthol
CID 10125582
1-Chloro-6-(2,5-difluoro-4-hydroxyphenyl)-2-naphthol
CID 10149610

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol?
The IUPAC name of 4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol (CID 170985342) is 4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol?
The canonical SMILES for 4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol is CC(C)(O)c1cc(O)c2ccccc2c1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol?
The InChIKey is TVKUWWSEYHRVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2O2/c1-19(2,23)16-10-17(22)14-5-3-4-6-15(14)18(16)11-7-12(20)9-13(21)8-11/h3-10,22-23H,1-2H3.
What are the key properties of 4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol?
4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol has a molecular weight of 347.24 g/mol, XLogP of 5.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-3-(2-hydroxypropan-2-yl)naphthalen-1-ol is sourced from PubChem (CID 170985342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).