2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid

C11H14O4S — CID 68831855

IUPAC2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid
SMILESCCOc1ccc(O)cc1CSCC(=O)O
InChIInChI=1S/C11H14O4S/c1-2-15-10-4-3-9(12)5-8(10)6-16-7-11(13)14/h3-5,12H,2,6-7H2,1H3,(H,13,14)
InChIKeyYSUKMBRBGWCPGC-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.11
Rot. Bonds6

About 2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid

2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid (PubChem CID 68831855) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid
PubChem CID68831855
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid
SMILESCCOc1ccc(O)cc1CSCC(=O)O
InChIInChI=1S/C11H14O4S/c1-2-15-10-4-3-9(12)5-8(10)6-16-7-11(13)14/h3-5,12H,2,6-7H2,1H3,(H,13,14)
InChIKeyYSUKMBRBGWCPGC-UHFFFAOYSA-N
XLogP2.11
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]acetic acid
CID 43237581
3-(bromomethyl)-4-ethoxyphenol
CID 141197912
2-[(5-amino-2-octoxyphenyl)methylsulfanyl]acetic acid
CID 3026229
2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 31545573
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
3-[(2-ethoxyphenyl)methylsulfanyl]propanoic acid
CID 43091577
(2-ethoxy-4-hydroxyphenyl) propaneperoxoate
CID 18473891
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 4992587
2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid
CID 141078685
2-(5-hydroxy-2-iodooxyphenyl)acetic acid
CID 174312460
N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966690

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid?
The IUPAC name of 2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid (CID 68831855) is 2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid?
The canonical SMILES for 2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid is CCOc1ccc(O)cc1CSCC(=O)O.
What is the InChIKey of 2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid?
The InChIKey is YSUKMBRBGWCPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-2-15-10-4-3-9(12)5-8(10)6-16-7-11(13)14/h3-5,12H,2,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid?
2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid has a molecular weight of 242.30 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid is sourced from PubChem (CID 68831855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).