4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol

C16H24O4 — CID 3045164

IUPAC4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
SMILESCOc1cc(C=CC(O)C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C16H24O4/c1-16(2,3)14(17)8-7-11-9-12(18-4)15(20-6)13(10-11)19-5/h7-10,14,17H,1-6H3
InChIKeyLVYHQBFMMMDUTF-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.13
Rot. Bonds5

About 4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol

4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol (PubChem CID 3045164) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
PubChem CID3045164
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
SMILESCOc1cc(C=CC(O)C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C16H24O4/c1-16(2,3)14(17)8-7-11-9-12(18-4)15(20-6)13(10-11)19-5/h7-10,14,17H,1-6H3
InChIKeyLVYHQBFMMMDUTF-UHFFFAOYSA-N
XLogP3.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
CID 6446799
5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene
CID 20785899
1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene
CID 142222347
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 57041223
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 155216963
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 24530545
(E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol
CID 10447581
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
CID 85446251
1,2,3-trimethoxy-5-[(E)-2-(trifluoromethylselanyl)ethenyl]benzene
CID 122369230
(1R,2S)-1-amino-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)butan-2-ol
CID 171160835

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol?
The IUPAC name of 4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol (CID 3045164) is 4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol?
The canonical SMILES for 4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol is COc1cc(C=CC(O)C(C)(C)C)cc(OC)c1OC.
What is the InChIKey of 4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol?
The InChIKey is LVYHQBFMMMDUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-16(2,3)14(17)8-7-11-9-12(18-4)15(20-6)13(10-11)19-5/h7-10,14,17H,1-6H3.
What are the key properties of 4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol?
4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol has a molecular weight of 280.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol is sourced from PubChem (CID 3045164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).