4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol

C13H11ClOS — CID 112596094

IUPAC4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol
SMILESC=C(Cl)CSc1ccc(O)c2ccccc12
InChIInChI=1S/C13H11ClOS/c1-9(14)8-16-13-7-6-12(15)10-4-2-3-5-11(10)13/h2-7,15H,1,8H2
InChIKeyGGVLRHWSIBXQTE-UHFFFAOYSA-N
MW250.75 g/mol
LogP4.39
Rot. Bonds3

About 4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol

4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol (PubChem CID 112596094) has the molecular formula C13H11ClOS and a molecular weight of 250.75 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol
PubChem CID112596094
Molecular FormulaC13H11ClOS
Molecular Weight250.75 g/mol
Exact Mass250.02
IUPAC Name4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol
SMILESC=C(Cl)CSc1ccc(O)c2ccccc12
InChIInChI=1S/C13H11ClOS/c1-9(14)8-16-13-7-6-12(15)10-4-2-3-5-11(10)13/h2-7,15H,1,8H2
InChIKeyGGVLRHWSIBXQTE-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,6-dichlorophenyl)methylsulfanyl]naphthalen-1-ol
CID 115945221
potassium trifluoro-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]boranuide
CID 112596223
2-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]isoindole-1,3-dione
CID 130649551
4-(3-amino-2-hydroxypropyl)sulfanylnaphthalen-1-ol
CID 113436442
4-(pyrimidin-2-ylmethylsulfanyl)naphthalen-1-ol
CID 112596012
N-(cyanomethyl)-2-(4-hydroxynaphthalen-1-yl)sulfanylacetamide
CID 112596059
4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol
CID 112596130
4-[(E)-4-aminobut-2-enyl]sulfanylnaphthalen-1-ol
CID 112595981
4-(2-chloroprop-2-enylsulfanyl)chromen-2-one
CID 12995365
4-(2-methylsulfonylethylsulfanyl)naphthalen-1-ol
CID 112596009
3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one
CID 115945174
1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one
CID 115945293

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol?
The IUPAC name of 4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol (CID 112596094) is 4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol.
What is the SMILES notation for 4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol?
The canonical SMILES for 4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol is C=C(Cl)CSc1ccc(O)c2ccccc12.
What is the InChIKey of 4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol?
The InChIKey is GGVLRHWSIBXQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOS/c1-9(14)8-16-13-7-6-12(15)10-4-2-3-5-11(10)13/h2-7,15H,1,8H2.
What are the key properties of 4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol?
4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol has a molecular weight of 250.75 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enylsulfanyl)naphthalen-1-ol is sourced from PubChem (CID 112596094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).