4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol

C20H18O2S — CID 144779039

IUPAC4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol
SMILESC=C(Oc1ccccc1C)Sc1cc(C)c2ccccc2c1O
InChIInChI=1S/C20H18O2S/c1-13-8-4-7-11-18(13)22-15(3)23-19-12-14(2)16-9-5-6-10-17(16)20(19)21/h4-12,21H,3H2,1-2H3
InChIKeyKUUPBLRZPZGWIV-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.80
Rot. Bonds4

About 4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol

4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol (PubChem CID 144779039) has the molecular formula C20H18O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol
PubChem CID144779039
Molecular FormulaC20H18O2S
Molecular Weight322.43 g/mol
Exact Mass322.10
IUPAC Name4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol
SMILESC=C(Oc1ccccc1C)Sc1cc(C)c2ccccc2c1O
InChIInChI=1S/C20H18O2S/c1-13-8-4-7-11-18(13)22-15(3)23-19-12-14(2)16-9-5-6-10-17(16)20(19)21/h4-12,21H,3H2,1-2H3
InChIKeyKUUPBLRZPZGWIV-UHFFFAOYSA-N
XLogP5.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;4-methyl-2-phenylsulfanylnaphthalen-1-ol
CID 144779161
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CID 54230018
(2-methylphenyl) N-(1-hydroxyethyl)carbamate
CID 175546454
1-O-(2-methylphenyl) 5-O-(2,4,6-trichlorophenyl) pentanedioate
CID 91733488
chrysen-1-yl (2-methylphenyl) carbonate
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3-methoxy-9-methylphenanthren-2-ol
CID 10514087
(2-methylphenyl) 2,3-dihydroxybenzoate
CID 69026633

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol (CID 144779039) is 4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol is C=C(Oc1ccccc1C)Sc1cc(C)c2ccccc2c1O.
What is the InChIKey of 4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol?
The InChIKey is KUUPBLRZPZGWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2S/c1-13-8-4-7-11-18(13)22-15(3)23-19-12-14(2)16-9-5-6-10-17(16)20(19)21/h4-12,21H,3H2,1-2H3.
What are the key properties of 4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol?
4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol has a molecular weight of 322.43 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(2-methylphenoxy)ethenylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 144779039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).