1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene

C10H14O3S — CID 146288940

IUPAC1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene
SMILESCCc1ccc(OC)c(SO)c1OC
InChIInChI=1S/C10H14O3S/c1-4-7-5-6-8(12-2)10(14-11)9(7)13-3/h5-6,11H,4H2,1-3H3
InChIKeyAHYOJPRKSSVOOZ-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.83
Rot. Bonds4

About 1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene

1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene (PubChem CID 146288940) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene
PubChem CID146288940
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene
SMILESCCc1ccc(OC)c(SO)c1OC
InChIInChI=1S/C10H14O3S/c1-4-7-5-6-8(12-2)10(14-11)9(7)13-3/h5-6,11H,4H2,1-3H3
InChIKeyAHYOJPRKSSVOOZ-UHFFFAOYSA-N
XLogP2.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
1-ethyl-3,4-dimethoxy-2-methylbenzene
CID 54293104
O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117330895
2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352963
(2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
CID 69397657
1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
CID 69397655
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117323985
1-ethyl-2-isothiocyanato-3,4-dimethoxybenzene
CID 142641031
6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
2-[(2,3,4-trimethoxyphenyl)methylsulfanyl]acetic acid
CID 24754535
3-(3,4-dimethoxy-2-methylsulfanylphenyl)propanal
CID 117353644
2-amino-3-(3-ethyl-2,4-dimethoxyphenyl)propanoic acid
CID 117385932

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene?
The IUPAC name of 1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene (CID 146288940) is 1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene.
What is the SMILES notation for 1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene?
The canonical SMILES for 1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene is CCc1ccc(OC)c(SO)c1OC.
What is the InChIKey of 1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene?
The InChIKey is AHYOJPRKSSVOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-4-7-5-6-8(12-2)10(14-11)9(7)13-3/h5-6,11H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene?
1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene has a molecular weight of 214.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene is sourced from PubChem (CID 146288940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).