2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid

C14H14O3S — CID 154196491

IUPAC2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid
SMILESO=C(O)COc1ccc2c3c(sc2c1)CCCC3
InChIInChI=1S/C14H14O3S/c15-14(16)8-17-9-5-6-11-10-3-1-2-4-12(10)18-13(11)7-9/h5-7H,1-4,8H2,(H,15,16)
InChIKeyYRHIKQMIBZMSQV-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.24
Rot. Bonds3

About 2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid

2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid (PubChem CID 154196491) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid.

Molecular Properties

Compound Name2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid
PubChem CID154196491
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid
SMILESO=C(O)COc1ccc2c3c(sc2c1)CCCC3
InChIInChI=1S/C14H14O3S/c15-14(16)8-17-9-5-6-11-10-3-1-2-4-12(10)18-13(11)7-9/h5-7H,1-4,8H2,(H,15,16)
InChIKeyYRHIKQMIBZMSQV-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)hexadecanoic acid
CID 150392559
2-[3-[(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenoxy]acetic acid
CID 119186566
2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-3-methylphenoxy]acetic acid
CID 119231370
2-[4-[3-(carboxymethoxy)naphtho[3,2-b][1]benzothiol-11-yl]phenoxy]acetic acid
CID 18687828
N-[2-hydroxy-5-[1-hydroxy-2-[2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride
CID 22111247
2-[6-(bromomethyl)naphthalen-2-yl]oxyacetic acid
CID 69228265
2-(4-bromo-3-ethylphenoxy)acetic acid
CID 14207512
3-pentan-3-yl-8-phenylmethoxy-1,2,4,5-tetrahydro-[1]benzothiolo[2,3-d]azepine
CID 168943623
2-(4-bromo-3-chlorophenoxy)acetic acid
CID 22633682
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-[(2-sulfanylidene-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-7-yl)oxy]acetic acid
CID 18471020
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293

Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid?
The IUPAC name of 2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid (CID 154196491) is 2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid.
What is the SMILES notation for 2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid?
The canonical SMILES for 2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid is O=C(O)COc1ccc2c3c(sc2c1)CCCC3.
What is the InChIKey of 2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid?
The InChIKey is YRHIKQMIBZMSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c15-14(16)8-17-9-5-6-11-10-3-1-2-4-12(10)18-13(11)7-9/h5-7H,1-4,8H2,(H,15,16).
What are the key properties of 2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid?
2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid has a molecular weight of 262.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8,9-tetrahydrodibenzothiophen-3-yloxy)acetic acid is sourced from PubChem (CID 154196491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).