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

C15H22O4 — CID 6446799

IUPAC(E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
SMILESCOc1cc(/C=C/C(O)C(C)C)cc(OC)c1OC
InChIInChI=1S/C15H22O4/c1-10(2)12(16)7-6-11-8-13(17-3)15(19-5)14(9-11)18-4/h6-10,12,16H,1-5H3/b7-6+
InChIKeySJWYLBIDXWSXKG-VOTSOKGWSA-N
MW266.34 g/mol
LogP2.74
Rot. Bonds6

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

(E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol (PubChem CID 6446799) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol.

Molecular Properties

Compound Name(E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
PubChem CID6446799
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
SMILESCOc1cc(/C=C/C(O)C(C)C)cc(OC)c1OC
InChIInChI=1S/C15H22O4/c1-10(2)12(16)7-6-11-8-13(17-3)15(19-5)14(9-11)18-4/h6-10,12,16H,1-5H3/b7-6+
InChIKeySJWYLBIDXWSXKG-VOTSOKGWSA-N
XLogP2.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
CID 3045164
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
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 155216963
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 57041223
(1S,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 44559993
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] (2S)-2-methylbutanoate
CID 163106733
5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene
CID 20785899
(1R,2R)-2-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 162926503
2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 14018328

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol?
The IUPAC name of (E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol (CID 6446799) is (E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol.
What is the SMILES notation for (E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol?
The canonical SMILES for (E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol is COc1cc(/C=C/C(O)C(C)C)cc(OC)c1OC.
What is the InChIKey of (E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol?
The InChIKey is SJWYLBIDXWSXKG-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H22O4/c1-10(2)12(16)7-6-11-8-13(17-3)15(19-5)14(9-11)18-4/h6-10,12,16H,1-5H3/b7-6+.
What are the key properties of (E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol?
(E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol has a molecular weight of 266.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol is sourced from PubChem (CID 6446799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).