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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Related Compounds

8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one
CID 87409349
7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 5321775
(2S)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 162844838
(2S)-7-hydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 132915901
(2R)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
CID 7021184
7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 42607833
2-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 10291003
5-hydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-7-propan-2-yloxy-2,3-dihydrochromen-4-one
CID 155725234
(2R)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
CID 100967920
(2S,8S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
CID 162998660
(E)-4-[2-(4-bromonaphthalen-1-yl)-4-oxo-2,3-dihydrochromen-8-yl]-2-methylbut-2-enoic acid
CID 177379954
(2R)-5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
CID 26250142

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).