2-(4H-chromen-8-yl)acetic acid

C11H10O3 — CID 19897259

IUPAC2-(4H-chromen-8-yl)acetic acid
SMILESO=C(O)Cc1cccc2c1OC=CC2
InChIInChI=1S/C11H10O3/c12-10(13)7-9-4-1-3-8-5-2-6-14-11(8)9/h1-4,6H,5,7H2,(H,12,13)
InChIKeyDUSGKPRWSSXDNR-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.76
Rot. Bonds2

About 2-(4H-chromen-8-yl)acetic acid

2-(4H-chromen-8-yl)acetic acid (PubChem CID 19897259) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(4H-chromen-8-yl)acetic acid.

Molecular Properties

Compound Name2-(4H-chromen-8-yl)acetic acid
PubChem CID19897259
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2-(4H-chromen-8-yl)acetic acid
SMILESO=C(O)Cc1cccc2c1OC=CC2
InChIInChI=1S/C11H10O3/c12-10(13)7-9-4-1-3-8-5-2-6-14-11(8)9/h1-4,6H,5,7H2,(H,12,13)
InChIKeyDUSGKPRWSSXDNR-UHFFFAOYSA-N
XLogP1.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromen-8-yl)acetic acid?
The IUPAC name of 2-(4H-chromen-8-yl)acetic acid (CID 19897259) is 2-(4H-chromen-8-yl)acetic acid.
What is the SMILES notation for 2-(4H-chromen-8-yl)acetic acid?
The canonical SMILES for 2-(4H-chromen-8-yl)acetic acid is O=C(O)Cc1cccc2c1OC=CC2.
What is the InChIKey of 2-(4H-chromen-8-yl)acetic acid?
The InChIKey is DUSGKPRWSSXDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-10(13)7-9-4-1-3-8-5-2-6-14-11(8)9/h1-4,6H,5,7H2,(H,12,13).
What are the key properties of 2-(4H-chromen-8-yl)acetic acid?
2-(4H-chromen-8-yl)acetic acid has a molecular weight of 190.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromen-8-yl)acetic acid is sourced from PubChem (CID 19897259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).