2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol

C14H20O3S — CID 114714249

IUPAC2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCCSCCC1CC(O)c2ccc(OC)cc2O1
InChIInChI=1S/C14H20O3S/c1-3-18-7-6-11-8-13(15)12-5-4-10(16-2)9-14(12)17-11/h4-5,9,11,13,15H,3,6-8H2,1-2H3
InChIKeyRHNKYLGRIDTISC-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.02
Rot. Bonds5

About 2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol

2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714249) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714249
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCCSCCC1CC(O)c2ccc(OC)cc2O1
InChIInChI=1S/C14H20O3S/c1-3-18-7-6-11-8-13(15)12-5-4-10(16-2)9-14(12)17-11/h4-5,9,11,13,15H,3,6-8H2,1-2H3
InChIKeyRHNKYLGRIDTISC-UHFFFAOYSA-N
XLogP3.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol
CID 114714331
(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944582
(4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948552
(4R)-6-bromo-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951372
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950983
2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715401
2-(2,4-dimethylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714374
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711038
7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 114714249) is 2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol is CCSCCC1CC(O)c2ccc(OC)cc2O1.
What is the InChIKey of 2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is RHNKYLGRIDTISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-3-18-7-6-11-8-13(15)12-5-4-10(16-2)9-14(12)17-11/h4-5,9,11,13,15H,3,6-8H2,1-2H3.
What are the key properties of 2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 268.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).