2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid

C20H16O3 — CID 56687022

IUPAC2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1CCc2c(ccc3ccccc23)O1
InChIInChI=1S/C20H16O3/c21-20(22)17-8-4-3-7-15(17)19-12-10-16-14-6-2-1-5-13(14)9-11-18(16)23-19/h1-9,11,19H,10,12H2,(H,21,22)
InChIKeyDSUSLYCWYNOKDG-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.60
Rot. Bonds2

About 2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid

2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid (PubChem CID 56687022) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid
PubChem CID56687022
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1CCc2c(ccc3ccccc23)O1
InChIInChI=1S/C20H16O3/c21-20(22)17-8-4-3-7-15(17)19-12-10-16-14-6-2-1-5-13(14)9-11-18(16)23-19/h1-9,11,19H,10,12H2,(H,21,22)
InChIKeyDSUSLYCWYNOKDG-UHFFFAOYSA-N
XLogP4.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid (CID 56687022) is 2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid is O=C(O)c1ccccc1C1CCc2c(ccc3ccccc23)O1.
What is the InChIKey of 2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid?
The InChIKey is DSUSLYCWYNOKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c21-20(22)17-8-4-3-7-15(17)19-12-10-16-14-6-2-1-5-13(14)9-11-18(16)23-19/h1-9,11,19H,10,12H2,(H,21,22).
What are the key properties of 2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid?
2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid has a molecular weight of 304.35 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid is sourced from PubChem (CID 56687022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).