2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid

C10H14O4S — CID 103378021

IUPAC2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid
SMILESCc1ccsc1C(OCCCO)C(=O)O
InChIInChI=1S/C10H14O4S/c1-7-3-6-15-9(7)8(10(12)13)14-5-2-4-11/h3,6,8,11H,2,4-5H2,1H3,(H,12,13)
InChIKeyZVCAVGXMNJVXTP-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.58
Rot. Bonds6

About 2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid

2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid (PubChem CID 103378021) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid
PubChem CID103378021
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid
SMILESCc1ccsc1C(OCCCO)C(=O)O
InChIInChI=1S/C10H14O4S/c1-7-3-6-15-9(7)8(10(12)13)14-5-2-4-11/h3,6,8,11H,2,4-5H2,1H3,(H,12,13)
InChIKeyZVCAVGXMNJVXTP-UHFFFAOYSA-N
XLogP1.58
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethylphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224254
2-(3-hydroxypropoxy)-2-(2,4,5-trimethylphenyl)acetic acid
CID 114078427
2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83223895
2-(3-methylthiophen-2-yl)butanoic acid
CID 79991313
2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid
CID 103378054
2,4-diamino-4-(3-methylthiophen-2-yl)butanoic acid
CID 116942752
N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide
CID 116860798
2-(3-fluoro-4-methoxyphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224437
1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 66233569
2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid
CID 116824724
2-(2-hydroxyethoxy)-2-(4-methylphenyl)acetic acid
CID 83224145
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid?
The IUPAC name of 2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid (CID 103378021) is 2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid is Cc1ccsc1C(OCCCO)C(=O)O.
What is the InChIKey of 2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid?
The InChIKey is ZVCAVGXMNJVXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S/c1-7-3-6-15-9(7)8(10(12)13)14-5-2-4-11/h3,6,8,11H,2,4-5H2,1H3,(H,12,13).
What are the key properties of 2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid?
2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid has a molecular weight of 230.28 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropoxy)-2-(3-methylthiophen-2-yl)acetic acid is sourced from PubChem (CID 103378021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).