ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol

C19H20OS — CID 144779161

IUPACethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol
SMILESCC.Cc1cc(Sc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C17H14OS.C2H6/c1-12-11-16(19-13-7-3-2-4-8-13)17(18)15-10-6-5-9-14(12)15;1-2/h2-11,18H,1H3;1-2H3
InChIKeyRPBGCRBZLQVFKS-UHFFFAOYSA-N
MW296.44 g/mol
LogP6.03
Rot. Bonds2

About ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol

ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol (PubChem CID 144779161) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol.

Molecular Properties

Compound Nameethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol
PubChem CID144779161
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Nameethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol
SMILESCC.Cc1cc(Sc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C17H14OS.C2H6/c1-12-11-16(19-13-7-3-2-4-8-13)17(18)15-10-6-5-9-14(12)15;1-2/h2-11,18H,1H3;1-2H3
InChIKeyRPBGCRBZLQVFKS-UHFFFAOYSA-N
XLogP6.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylsulfanylnaphthalene-1,4-diol
CID 15508792
N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)-2,3-dimethylbenzenesulfonamide
CID 58565778
(E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)prop-1-ene-1-sulfonamide
CID 143906959
4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol
CID 144779039
1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene
CID 71378350
N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)naphthalene-2-sulfonamide
CID 58565599
2,4-ditert-butyl-6-phenylsulfanylphenol
CID 12058921
(2E)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)-4-methylpenta-2,4-diene-2-sulfonamide
CID 143906947
(3Z)-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)penta-1,3-diene-2-sulfonamide
CID 143906913
1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene
CID 10515507
4-tert-butyl-2-methyl-1-phenylsulfanylbenzene
CID 134392387
1-nitroso-4-phenylsulfanylnaphthalen-2-ol
CID 15325435

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol?
The IUPAC name of ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol (CID 144779161) is ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol.
What is the SMILES notation for ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol?
The canonical SMILES for ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol is CC.Cc1cc(Sc2ccccc2)c(O)c2ccccc12.
What is the InChIKey of ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol?
The InChIKey is RPBGCRBZLQVFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS.C2H6/c1-12-11-16(19-13-7-3-2-4-8-13)17(18)15-10-6-5-9-14(12)15;1-2/h2-11,18H,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol?
ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol has a molecular weight of 296.44 g/mol, XLogP of 6.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol is sourced from PubChem (CID 144779161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).