2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

C20H20O3 — CID 24829257

IUPAC2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
SMILESCC(C)=CCc1cccc2c1OC(c1ccc(O)cc1)CC2=O
InChIInChI=1S/C20H20O3/c1-13(2)6-7-15-4-3-5-17-18(22)12-19(23-20(15)17)14-8-10-16(21)11-9-14/h3-6,8-11,19,21H,7,12H2,1-2H3
InChIKeyNHNFQWGJJHAUGZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.61
Rot. Bonds3

About 2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one (PubChem CID 24829257) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
PubChem CID24829257
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
SMILESCC(C)=CCc1cccc2c1OC(c1ccc(O)cc1)CC2=O
InChIInChI=1S/C20H20O3/c1-13(2)6-7-15-4-3-5-17-18(22)12-19(23-20(15)17)14-8-10-16(21)11-9-14/h3-6,8-11,19,21H,7,12H2,1-2H3
InChIKeyNHNFQWGJJHAUGZ-UHFFFAOYSA-N
XLogP4.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one (CID 24829257) is 2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one is CC(C)=CCc1cccc2c1OC(c1ccc(O)cc1)CC2=O.
What is the InChIKey of 2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?
The InChIKey is NHNFQWGJJHAUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-13(2)6-7-15-4-3-5-17-18(22)12-19(23-20(15)17)14-8-10-16(21)11-9-14/h3-6,8-11,19,21H,7,12H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?
2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one has a molecular weight of 308.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 24829257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).