2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one

C20H20O4 — CID 44538610

IUPAC2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(OC3CCCC3)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C20H20O4/c21-14-7-10-17-18(22)12-19(24-20(17)11-14)13-5-8-16(9-6-13)23-15-3-1-2-4-15/h5-11,15,19,21H,1-4,12H2
InChIKeyNLWUGHFQXFCOOB-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.42
Rot. Bonds3

About 2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one

2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one (PubChem CID 44538610) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
PubChem CID44538610
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(OC3CCCC3)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C20H20O4/c21-14-7-10-17-18(22)12-19(24-20(17)11-14)13-5-8-16(9-6-13)23-15-3-1-2-4-15/h5-11,15,19,21H,1-4,12H2
InChIKeyNLWUGHFQXFCOOB-UHFFFAOYSA-N
XLogP4.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one (CID 44538610) is 2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one is O=C1CC(c2ccc(OC3CCCC3)cc2)Oc2cc(O)ccc21.
What is the InChIKey of 2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one?
The InChIKey is NLWUGHFQXFCOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c21-14-7-10-17-18(22)12-19(24-20(17)11-14)13-5-8-16(9-6-13)23-15-3-1-2-4-15/h5-11,15,19,21H,1-4,12H2.
What are the key properties of 2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one?
2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one has a molecular weight of 324.38 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyloxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 44538610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).