2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol

C20H12Cl2O3 — CID 21256239

IUPAC2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol
SMILESOc1c(Cl)cc(Oc2cc(Cl)c(O)c3ccccc23)c2ccccc12
InChIInChI=1S/C20H12Cl2O3/c21-15-9-17(11-5-1-3-7-13(11)19(15)23)25-18-10-16(22)20(24)14-8-4-2-6-12(14)18/h1-10,23-24H
InChIKeyDYTIQBZNYCPBKT-UHFFFAOYSA-N
MW371.22 g/mol
LogP6.50
Rot. Bonds2

About 2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol

2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol (PubChem CID 21256239) has the molecular formula C20H12Cl2O3 and a molecular weight of 371.22 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol
PubChem CID21256239
Molecular FormulaC20H12Cl2O3
Molecular Weight371.22 g/mol
Exact Mass370.02
IUPAC Name2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol
SMILESOc1c(Cl)cc(Oc2cc(Cl)c(O)c3ccccc23)c2ccccc12
InChIInChI=1S/C20H12Cl2O3/c21-15-9-17(11-5-1-3-7-13(11)19(15)23)25-18-10-16(22)20(24)14-8-4-2-6-12(14)18/h1-10,23-24H
InChIKeyDYTIQBZNYCPBKT-UHFFFAOYSA-N
XLogP6.50
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.22
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-ethoxynaphthalen-1-ol
CID 121473034
4-butoxy-2-chloronaphthalen-1-ol
CID 121473081
3-chloro-4-hydroxynaphthalene-1-sulfonic acid
CID 87294713
2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol
CID 70015701
2,4-dimethoxynaphthalen-1-ol
CID 12563547
2-chloro-6-(2-chlorophenoxy)phenol
CID 101247244
4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol
CID 100954533
3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)
CID 23311022
2,3-bis(4-chlorophenoxy)naphthalene-1,4-diol
CID 19886874
2-chlorophenanthren-1-ol
CID 88831797
N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide
CID 58565693
2-(1,5-dihydroxynaphthalen-2-yl)oxynaphthalene-1,5-diol
CID 171422420

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol?
The IUPAC name of 2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol (CID 21256239) is 2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol.
What is the SMILES notation for 2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol?
The canonical SMILES for 2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol is Oc1c(Cl)cc(Oc2cc(Cl)c(O)c3ccccc23)c2ccccc12.
What is the InChIKey of 2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol?
The InChIKey is DYTIQBZNYCPBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2O3/c21-15-9-17(11-5-1-3-7-13(11)19(15)23)25-18-10-16(22)20(24)14-8-4-2-6-12(14)18/h1-10,23-24H.
What are the key properties of 2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol?
2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol has a molecular weight of 371.22 g/mol, XLogP of 6.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol is sourced from PubChem (CID 21256239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).