2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one

C20H30O4 — CID 143334764

IUPAC2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one
SMILESCOc1cc(CC(O)C(=O)CC(C)CCCC=C(C)C)ccc1O
InChIInChI=1S/C20H30O4/c1-14(2)7-5-6-8-15(3)11-18(22)19(23)12-16-9-10-17(21)20(13-16)24-4/h7,9-10,13,15,19,21,23H,5-6,8,11-12H2,1-4H3
InChIKeyLLJXGNUYJRRSMY-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.04
Rot. Bonds10

About 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one

2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one (PubChem CID 143334764) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one.

Molecular Properties

Compound Name2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one
PubChem CID143334764
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one
SMILESCOc1cc(CC(O)C(=O)CC(C)CCCC=C(C)C)ccc1O
InChIInChI=1S/C20H30O4/c1-14(2)7-5-6-8-15(3)11-18(22)19(23)12-16-9-10-17(21)20(13-16)24-4/h7,9-10,13,15,19,21,23H,5-6,8,11-12H2,1-4H3
InChIKeyLLJXGNUYJRRSMY-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)-5,9-dimethyldec-8-en-3-one
CID 11502444
2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
CID 11989921
5,9-dimethyldec-8-enoic acid;(4-hydroxy-3-methoxyphenyl)methyl acetate
CID 175964709
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)ethane-1,1-diol
CID 146954758
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
CID 71398900
2,7-bis[(4-hydroxy-3-methoxyphenyl)methyl]octanedioic acid
CID 122512055
4-[2-(hydroxyamino)propyl]-2-methoxyphenol
CID 45091599
3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,10-dimethylundec-8-en-2-one
CID 91373541
3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecan-5-one
CID 163102634
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one?
The IUPAC name of 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one (CID 143334764) is 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one.
What is the SMILES notation for 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one?
The canonical SMILES for 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one is COc1cc(CC(O)C(=O)CC(C)CCCC=C(C)C)ccc1O.
What is the InChIKey of 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one?
The InChIKey is LLJXGNUYJRRSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-14(2)7-5-6-8-15(3)11-18(22)19(23)12-16-9-10-17(21)20(13-16)24-4/h7,9-10,13,15,19,21,23H,5-6,8,11-12H2,1-4H3.
What are the key properties of 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one?
2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one has a molecular weight of 334.46 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5,10-dimethylundec-9-en-3-one is sourced from PubChem (CID 143334764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).