(2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate

C14H20O3S — CID 84603147

IUPAC(2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate
SMILESCOc1ccccc1COC(=O)CSC(C)(C)C
InChIInChI=1S/C14H20O3S/c1-14(2,3)18-10-13(15)17-9-11-7-5-6-8-12(11)16-4/h5-8H,9-10H2,1-4H3
InChIKeyCFVZYCRXWOYHMO-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.27
Rot. Bonds5

About (2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate

(2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate (PubChem CID 84603147) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate
PubChem CID84603147
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name(2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate
SMILESCOc1ccccc1COC(=O)CSC(C)(C)C
InChIInChI=1S/C14H20O3S/c1-14(2,3)18-10-13(15)17-9-11-7-5-6-8-12(11)16-4/h5-8H,9-10H2,1-4H3
InChIKeyCFVZYCRXWOYHMO-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate 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-fluorophenyl)methyl 2-tert-butylsulfanylacetate
CID 84603150
(2-ethylphenyl) 2-tert-butylsulfanylacetate
CID 78782017
(2-methoxyphenyl)methyl 2-(4-methoxyphenyl)acetate
CID 78760060
(2-methoxyphenyl)methyl 2-[[1-[(2-methoxyphenyl)methoxy]-1-oxopropan-2-yl]disulfanyl]propanoate
CID 22418608
(2-methoxyphenyl)methyl 3-cyanobutanoate
CID 112509968
4-amino-1-(2-methoxyphenyl)-3,3,4-trimethylpentan-2-one
CID 116573767
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
(2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate
CID 9364238
1-O-heptyl 4-O-[(2-methoxyphenyl)methyl] butanedioate
CID 91715717
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
(2-methoxyphenyl)methyl cyclopentanecarboxylate
CID 78760103
(2-methoxyphenyl)methyl 2-methylpentanoate
CID 78842249

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate?
The IUPAC name of (2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate (CID 84603147) is (2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate.
What is the SMILES notation for (2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate?
The canonical SMILES for (2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate is COc1ccccc1COC(=O)CSC(C)(C)C.
What is the InChIKey of (2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate?
The InChIKey is CFVZYCRXWOYHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-14(2,3)18-10-13(15)17-9-11-7-5-6-8-12(11)16-4/h5-8H,9-10H2,1-4H3.
What are the key properties of (2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate?
(2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate has a molecular weight of 268.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl 2-tert-butylsulfanylacetate is sourced from PubChem (CID 84603147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).