2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid

C11H12O3 — CID 10261981

IUPAC2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid
SMILESO=C(O)CC1Cc2ccccc2CO1
InChIInChI=1S/C11H12O3/c12-11(13)6-10-5-8-3-1-2-4-9(8)7-14-10/h1-4,10H,5-7H2,(H,12,13)
InChIKeyWIZVGSLPHFGKBM-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.60
Rot. Bonds2

About 2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid

2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid (PubChem CID 10261981) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid
PubChem CID10261981
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid
SMILESO=C(O)CC1Cc2ccccc2CO1
InChIInChI=1S/C11H12O3/c12-11(13)6-10-5-8-3-1-2-4-9(8)7-14-10/h1-4,10H,5-7H2,(H,12,13)
InChIKeyWIZVGSLPHFGKBM-UHFFFAOYSA-N
XLogP1.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid (CID 10261981) is 2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid is O=C(O)CC1Cc2ccccc2CO1.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid?
The InChIKey is WIZVGSLPHFGKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-11(13)6-10-5-8-3-1-2-4-9(8)7-14-10/h1-4,10H,5-7H2,(H,12,13).
What are the key properties of 2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid?
2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid has a molecular weight of 192.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-3-yl)acetic acid is sourced from PubChem (CID 10261981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).