phenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone

C22H24O5 — CID 102179316

IUPACphenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone
SMILESCC(C)=CCCC1Oc2c(c(O)cc(O)c2C(=O)c2ccccc2)CC1O
InChIInChI=1S/C22H24O5/c1-13(2)7-6-10-19-17(24)11-15-16(23)12-18(25)20(22(15)27-19)21(26)14-8-4-3-5-9-14/h3-5,7-9,12,17,19,23-25H,6,10-11H2,1-2H3
InChIKeyWDKGWMQIQJKJNQ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.74
Rot. Bonds5

About phenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone

phenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone (PubChem CID 102179316) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is phenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone.

Molecular Properties

Compound Namephenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone
PubChem CID102179316
Molecular FormulaC22H24O5
Molecular Weight368.43 g/mol
Exact Mass368.16
IUPAC Namephenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone
SMILESCC(C)=CCCC1Oc2c(c(O)cc(O)c2C(=O)c2ccccc2)CC1O
InChIInChI=1S/C22H24O5/c1-13(2)7-6-10-19-17(24)11-15-16(23)12-18(25)20(22(15)27-19)21(26)14-8-4-3-5-9-14/h3-5,7-9,12,17,19,23-25H,6,10-11H2,1-2H3
InChIKeyWDKGWMQIQJKJNQ-UHFFFAOYSA-N
XLogP3.74
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]-phenylmethanone
CID 637876
[(2R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-5,7-dihydroxy-2-methyl-3,4-dihydrochromen-8-yl]-phenylmethanone
CID 164625982
[(2S)-5,7-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-6-yl]-phenylmethanone
CID 162875840
2-methyl-1-[(2R,3S)-3,5,7-trihydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-8-yl]butan-1-one
CID 71458439
[5,7-dihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-phenylmethanone
CID 91993519
3-benzoyl-2,4,6-trihydroxybenzoic acid
CID 154360327
3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one
CID 73331657
(2S)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 162844838
[(1R,4R,13R)-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7,9,11-trien-8-yl]-phenylmethanone
CID 100885303
3-[2-(4,8-dimethylnona-3,7-dienyl)-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]benzoic acid
CID 74080232
1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one
CID 134961590
(E)-3-phenyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
CID 11992148

Frequently Asked Questions

What is the IUPAC name of phenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone?
The IUPAC name of phenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone (CID 102179316) is phenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone.
What is the SMILES notation for phenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone?
The canonical SMILES for phenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone is CC(C)=CCCC1Oc2c(c(O)cc(O)c2C(=O)c2ccccc2)CC1O.
What is the InChIKey of phenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone?
The InChIKey is WDKGWMQIQJKJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O5/c1-13(2)7-6-10-19-17(24)11-15-16(23)12-18(25)20(22(15)27-19)21(26)14-8-4-3-5-9-14/h3-5,7-9,12,17,19,23-25H,6,10-11H2,1-2H3.
What are the key properties of phenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone?
phenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone has a molecular weight of 368.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3,5,7-trihydroxy-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-chromen-8-yl]methanone is sourced from PubChem (CID 102179316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).