2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol

C20H13ClOS — CID 70015701

IUPAC2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol
SMILESOc1c(Cl)cc(Sc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C20H13ClOS/c21-17-12-19(15-9-3-4-10-16(15)20(17)22)23-18-11-5-7-13-6-1-2-8-14(13)18/h1-12,22H
InChIKeyWRIKBKZXKPEHEE-UHFFFAOYSA-N
MW336.84 g/mol
LogP6.50
Rot. Bonds2

About 2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol

2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol (PubChem CID 70015701) has the molecular formula C20H13ClOS and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol.

Molecular Properties

Compound Name2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol
PubChem CID70015701
Molecular FormulaC20H13ClOS
Molecular Weight336.84 g/mol
Exact Mass336.04
IUPAC Name2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol
SMILESOc1c(Cl)cc(Sc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C20H13ClOS/c21-17-12-19(15-9-3-4-10-16(15)20(17)22)23-18-11-5-7-13-6-1-2-8-14(13)18/h1-12,22H
InChIKeyWRIKBKZXKPEHEE-UHFFFAOYSA-N
XLogP6.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.84
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol?
The IUPAC name of 2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol (CID 70015701) is 2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol.
What is the SMILES notation for 2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol?
The canonical SMILES for 2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol is Oc1c(Cl)cc(Sc2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol?
The InChIKey is WRIKBKZXKPEHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClOS/c21-17-12-19(15-9-3-4-10-16(15)20(17)22)23-18-11-5-7-13-6-1-2-8-14(13)18/h1-12,22H.
What are the key properties of 2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol?
2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol has a molecular weight of 336.84 g/mol, XLogP of 6.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol is sourced from PubChem (CID 70015701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).