2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid

C19H20O3 — CID 19606307

IUPAC2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC(CCCc1ccccc1)O2
InChIInChI=1S/C19H20O3/c20-19(21)16-10-12-18-15(13-16)9-11-17(22-18)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,10,12-13,17H,4,7-9,11H2,(H,20,21)
InChIKeyJKKNUDQVTLXFOO-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.10
Rot. Bonds5

About 2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid

2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid (PubChem CID 19606307) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid
PubChem CID19606307
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC(CCCc1ccccc1)O2
InChIInChI=1S/C19H20O3/c20-19(21)16-10-12-18-15(13-16)9-11-17(22-18)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,10,12-13,17H,4,7-9,11H2,(H,20,21)
InChIKeyJKKNUDQVTLXFOO-UHFFFAOYSA-N
XLogP4.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid?
The IUPAC name of 2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid (CID 19606307) is 2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid.
What is the SMILES notation for 2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid?
The canonical SMILES for 2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid is O=C(O)c1ccc2c(c1)CCC(CCCc1ccccc1)O2.
What is the InChIKey of 2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid?
The InChIKey is JKKNUDQVTLXFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c20-19(21)16-10-12-18-15(13-16)9-11-17(22-18)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,10,12-13,17H,4,7-9,11H2,(H,20,21).
What are the key properties of 2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid?
2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxylic acid is sourced from PubChem (CID 19606307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).