3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one

C20H30O4 — CID 91373541

IUPAC3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one
SMILESCOc1cc(CC(=O)C(O)CCC(C)CC=CC(C)C)ccc1O
InChIInChI=1S/C20H30O4/c1-14(2)6-5-7-15(3)8-10-17(21)19(23)12-16-9-11-18(22)20(13-16)24-4/h5-6,9,11,13-15,17,21-22H,7-8,10,12H2,1-4H3
InChIKeyRGWWQUHGGPDGEF-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.89
Rot. Bonds10

About 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one

3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one (PubChem CID 91373541) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one
PubChem CID91373541
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one
SMILESCOc1cc(CC(=O)C(O)CCC(C)CC=CC(C)C)ccc1O
InChIInChI=1S/C20H30O4/c1-14(2)6-5-7-15(3)8-10-17(21)19(23)12-16-9-11-18(22)20(13-16)24-4/h5-6,9,11,13-15,17,21-22H,7-8,10,12H2,1-4H3
InChIKeyRGWWQUHGGPDGEF-UHFFFAOYSA-N
XLogP3.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one
CID 11989799
[(3S)-3,7-dimethyloct-6-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 134231777
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one
CID 143334764
4-[(E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)hept-3-enyl]-2-methoxyphenol
CID 45276601
ethyl 2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butanoate
CID 21224421
methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 121224875
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol
CID 11321502

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one?
The IUPAC name of 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one (CID 91373541) is 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one.
What is the SMILES notation for 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one?
The canonical SMILES for 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one is COc1cc(CC(=O)C(O)CCC(C)CC=CC(C)C)ccc1O.
What is the InChIKey of 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one?
The InChIKey is RGWWQUHGGPDGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-14(2)6-5-7-15(3)8-10-17(21)19(23)12-16-9-11-18(22)20(13-16)24-4/h5-6,9,11,13-15,17,21-22H,7-8,10,12H2,1-4H3.
What are the key properties of 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one?
3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one has a molecular weight of 334.46 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one is sourced from PubChem (CID 91373541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).