(E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol

C23H30O6 — CID 102287543

IUPAC(E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol
SMILESCOC[C@@H](C/C=C/c1ccc(OC)c(OC)c1)[C@@H](O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H30O6/c1-25-15-18(23(24)17-10-12-20(27-3)22(14-17)29-5)8-6-7-16-9-11-19(26-2)21(13-16)28-4/h6-7,9-14,18,23-24H,8,15H2,1-5H3/b7-6+/t18-,23+/m1/s1
InChIKeyDYVFUMMQRMNAMH-KUSROVSMSA-N
MW402.49 g/mol
LogP4.12
Rot. Bonds11

About (E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol

(E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol (PubChem CID 102287543) has the molecular formula C23H30O6 and a molecular weight of 402.49 g/mol. Its IUPAC name is (E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol.

Molecular Properties

Compound Name(E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol
PubChem CID102287543
Molecular FormulaC23H30O6
Molecular Weight402.49 g/mol
Exact Mass402.20
IUPAC Name(E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol
SMILESCOC[C@@H](C/C=C/c1ccc(OC)c(OC)c1)[C@@H](O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H30O6/c1-25-15-18(23(24)17-10-12-20(27-3)22(14-17)29-5)8-6-7-16-9-11-19(26-2)21(13-16)28-4/h6-7,9-14,18,23-24H,8,15H2,1-5H3/b7-6+/t18-,23+/m1/s1
InChIKeyDYVFUMMQRMNAMH-KUSROVSMSA-N
XLogP4.12
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R)-1-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 14123326
(1R,2S)-1-(3,4-dimethoxyphenyl)-2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 10904434
1-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 73118158
[2-[(3,4-dimethoxyphenyl)-hydroxymethyl]-5-(4-methoxyphenyl)pent-4-enyl] 2-(hydroxymethyl)but-2-enoate
CID 163006254
(1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol
CID 101225308
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(1R,2S)-1-(3,4-dimethoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propan-1-ol
CID 14018340
1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol
CID 164608626
(2S)-4-(3,4-dimethoxyphenyl)but-3-ene-1,2-diol
CID 162958577
4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol
CID 85296375
(1R,2S)-1-(3,4-dimethoxyphenyl)-2-(trityloxymethyl)pent-4-en-1-ol
CID 23657649
4-[(E)-3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]disulfanyl]prop-1-enyl]-1,2-dimethoxybenzene
CID 122188364

Frequently Asked Questions

What is the IUPAC name of (E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol?
The IUPAC name of (E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol (CID 102287543) is (E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol.
What is the SMILES notation for (E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol?
The canonical SMILES for (E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol is COC[C@@H](C/C=C/c1ccc(OC)c(OC)c1)[C@@H](O)c1ccc(OC)c(OC)c1.
What is the InChIKey of (E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol?
The InChIKey is DYVFUMMQRMNAMH-KUSROVSMSA-N. The full InChI is InChI=1S/C23H30O6/c1-25-15-18(23(24)17-10-12-20(27-3)22(14-17)29-5)8-6-7-16-9-11-19(26-2)21(13-16)28-4/h6-7,9-14,18,23-24H,8,15H2,1-5H3/b7-6+/t18-,23+/m1/s1.
What are the key properties of (E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol?
(E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol has a molecular weight of 402.49 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol is sourced from PubChem (CID 102287543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).