4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol

C17H12Cl2OS — CID 115945221

IUPAC4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol
SMILESOc1ccc(SCc2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C17H12Cl2OS/c18-14-6-3-7-15(19)13(14)10-21-17-9-8-16(20)11-4-1-2-5-12(11)17/h1-9,20H,10H2
InChIKeyXCYSWBPAMFWKIE-UHFFFAOYSA-N
MW335.26 g/mol
LogP6.14
Rot. Bonds3

About 4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol

4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol (PubChem CID 115945221) has the molecular formula C17H12Cl2OS and a molecular weight of 335.26 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol
PubChem CID115945221
Molecular FormulaC17H12Cl2OS
Molecular Weight335.26 g/mol
Exact Mass334.00
IUPAC Name4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol
SMILESOc1ccc(SCc2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C17H12Cl2OS/c18-14-6-3-7-15(19)13(14)10-21-17-9-8-16(20)11-4-1-2-5-12(11)17/h1-9,20H,10H2
InChIKeyXCYSWBPAMFWKIE-UHFFFAOYSA-N
XLogP6.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.26
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(6-amino-3-chloro-2-pyridinyl)methylsulfanyl]naphthalen-1-ol
CID 115945390
4-(pyrimidin-2-ylmethylsulfanyl)naphthalen-1-ol
CID 112596012
4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol
CID 112596130
4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol
CID 112596094
2-chloro-6-(4-hydroxynaphthalen-1-yl)sulfanylbenzonitrile
CID 115945350
1,3-dichloro-2-[(2-methylphenyl)sulfanylmethyl]benzene
CID 4991582
potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide
CID 112596223
4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol
CID 112596145
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]naphthalen-1-ol
CID 115945183
4-[(E)-4-aminobut-2-enyl]sulfanylnaphthalen-1-ol
CID 112595981
2-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]isoindole-1,3-dione
CID 130649551
3-bromo-4-[(2,6-dichlorophenyl)methylsulfanyl]aniline
CID 82840673

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol (CID 115945221) is 4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol is Oc1ccc(SCc2c(Cl)cccc2Cl)c2ccccc12.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol?
The InChIKey is XCYSWBPAMFWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2OS/c18-14-6-3-7-15(19)13(14)10-21-17-9-8-16(20)11-4-1-2-5-12(11)17/h1-9,20H,10H2.
What are the key properties of 4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol?
4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol has a molecular weight of 335.26 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 115945221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).