4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one

C16H14O4 — CID 101088863

IUPAC4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
SMILESCOc1cc(C2CC(=O)Oc3ccccc32)ccc1O
InChIInChI=1S/C16H14O4/c1-19-15-8-10(6-7-13(15)17)12-9-16(18)20-14-5-3-2-4-11(12)14/h2-8,12,17H,9H2,1H3
InChIKeyGLZQWJKBPOVSJV-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.84
Rot. Bonds2

About 4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one

4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one (PubChem CID 101088863) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
PubChem CID101088863
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
SMILESCOc1cc(C2CC(=O)Oc3ccccc32)ccc1O
InChIInChI=1S/C16H14O4/c1-19-15-8-10(6-7-13(15)17)12-9-16(18)20-14-5-3-2-4-11(12)14/h2-8,12,17H,9H2,1H3
InChIKeyGLZQWJKBPOVSJV-UHFFFAOYSA-N
XLogP2.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one (CID 101088863) is 4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one is COc1cc(C2CC(=O)Oc3ccccc32)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one?
The InChIKey is GLZQWJKBPOVSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-15-8-10(6-7-13(15)17)12-9-16(18)20-14-5-3-2-4-11(12)14/h2-8,12,17H,9H2,1H3.
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one?
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one has a molecular weight of 270.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 101088863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).