1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol

C32H21Cl3O4 — CID 158113674

IUPAC1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol
SMILESOc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)c(Cl)c1.Oc1ccc(-c2ccc3cc(O)ccc3c2)c(Cl)c1
InChIInChI=1S/C16H10Cl2O2.C16H11ClO2/c17-14-8-11(19)3-5-12(14)9-1-4-13-10(7-9)2-6-15(20)16(13)18;17-16-9-14(19)5-6-15(16)12-2-1-11-8-13(18)4-3-10(11)7-12/h1-8,19-20H;1-9,18-19H
InChIKeyFQSYMFSAADELOS-UHFFFAOYSA-N
MW575.88 g/mol
LogP9.80
Rot. Bonds2

About 1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol

1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol (PubChem CID 158113674) has the molecular formula C32H21Cl3O4 and a molecular weight of 575.88 g/mol. Its IUPAC name is 1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol
PubChem CID158113674
Molecular FormulaC32H21Cl3O4
Molecular Weight575.88 g/mol
Exact Mass574.05
IUPAC Name1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol
SMILESOc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)c(Cl)c1.Oc1ccc(-c2ccc3cc(O)ccc3c2)c(Cl)c1
InChIInChI=1S/C16H10Cl2O2.C16H11ClO2/c17-14-8-11(19)3-5-12(14)9-1-4-13-10(7-9)2-6-15(20)16(13)18;17-16-9-14(19)5-6-15(16)12-2-1-11-8-13(18)4-3-10(11)7-12/h1-8,19-20H;1-9,18-19H
InChIKeyFQSYMFSAADELOS-UHFFFAOYSA-N
XLogP9.80
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.88
LogP ≤ 59.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(6-hydroxynaphthalen-2-yl)benzoic acid
CID 57379048
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CID 161098712
6-(2-hydroxyphenyl)naphthalen-2-ol
CID 11368353
1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol
CID 160998401
3-chloro-4-(4-fluorophenyl)phenol
CID 46314342
1-chloro-6-methylnaphthalen-2-ol
CID 90360576
6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol
CID 21075903
6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol
CID 129226037
2-chloro-4-(2-chloro-5-hydroxyphenyl)phenol
CID 53221367
6-(4-hydroxy-2-methoxyphenyl)naphthalen-2-ol
CID 10125342
6-(4-hydroxyphenyl)naphthalen-2-ol;methane
CID 69476314
4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol
CID 90294470

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol (CID 158113674) is 1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol is Oc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)c(Cl)c1.Oc1ccc(-c2ccc3cc(O)ccc3c2)c(Cl)c1.
What is the InChIKey of 1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol?
The InChIKey is FQSYMFSAADELOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O2.C16H11ClO2/c17-14-8-11(19)3-5-12(14)9-1-4-13-10(7-9)2-6-15(20)16(13)18;17-16-9-14(19)5-6-15(16)12-2-1-11-8-13(18)4-3-10(11)7-12/h1-8,19-20H;1-9,18-19H.
What are the key properties of 1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol?
1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol has a molecular weight of 575.88 g/mol, XLogP of 9.80, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 158113674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).