2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid

C11H12O3 — CID 82402911

IUPAC2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid
SMILESO=C(O)Cc1cccc2c1CCOC2
InChIInChI=1S/C11H12O3/c12-11(13)6-8-2-1-3-9-7-14-5-4-10(8)9/h1-3H,4-7H2,(H,12,13)
InChIKeyAWEBFUWRHOUXNP-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.39
Rot. Bonds2

About 2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid

2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid (PubChem CID 82402911) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid
PubChem CID82402911
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid
SMILESO=C(O)Cc1cccc2c1CCOC2
InChIInChI=1S/C11H12O3/c12-11(13)6-8-2-1-3-9-7-14-5-4-10(8)9/h1-3H,4-7H2,(H,12,13)
InChIKeyAWEBFUWRHOUXNP-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
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-5-yl)acetic acid?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid (CID 82402911) is 2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid is O=C(O)Cc1cccc2c1CCOC2.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid?
The InChIKey is AWEBFUWRHOUXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-11(13)6-8-2-1-3-9-7-14-5-4-10(8)9/h1-3H,4-7H2,(H,12,13).
What are the key properties of 2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid?
2-(3,4-dihydro-1H-isochromen-5-yl)acetic acid has a molecular weight of 192.21 g/mol, XLogP of 1.39, 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-5-yl)acetic acid is sourced from PubChem (CID 82402911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).