5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one

C18H26O4 — CID 58822522

IUPAC5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one
SMILESC=C(C)C(O)C(C)C(=O)C(C)COCc1ccc(OC)cc1
InChIInChI=1S/C18H26O4/c1-12(2)17(19)14(4)18(20)13(3)10-22-11-15-6-8-16(21-5)9-7-15/h6-9,13-14,17,19H,1,10-11H2,2-5H3
InChIKeyVMJSGYYRUVDQKF-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.99
Rot. Bonds9

About 5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one

5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one (PubChem CID 58822522) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one.

Molecular Properties

Compound Name5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one
PubChem CID58822522
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one
SMILESC=C(C)C(O)C(C)C(=O)C(C)COCc1ccc(OC)cc1
InChIInChI=1S/C18H26O4/c1-12(2)17(19)14(4)18(20)13(3)10-22-11-15-6-8-16(21-5)9-7-15/h6-9,13-14,17,19H,1,10-11H2,2-5H3
InChIKeyVMJSGYYRUVDQKF-UHFFFAOYSA-N
XLogP2.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one
CID 101074120
1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
(2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one
CID 101074117
1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene
CID 78130053
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
(5S,6S)-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,6-dimethylheptan-3-one
CID 101412601
(2S,3S)-4-[(4-methoxyphenyl)methoxy]-2-methyl-2-prop-1-en-2-ylbutane-1,3-diol
CID 11414824
(2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide
CID 11141931
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391
(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 10491992
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one?
The IUPAC name of 5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one (CID 58822522) is 5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one.
What is the SMILES notation for 5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one?
The canonical SMILES for 5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one is C=C(C)C(O)C(C)C(=O)C(C)COCc1ccc(OC)cc1.
What is the InChIKey of 5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one?
The InChIKey is VMJSGYYRUVDQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-12(2)17(19)14(4)18(20)13(3)10-22-11-15-6-8-16(21-5)9-7-15/h6-9,13-14,17,19H,1,10-11H2,2-5H3.
What are the key properties of 5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one?
5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one has a molecular weight of 306.40 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one is sourced from PubChem (CID 58822522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).