1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol

C20H24O5 — CID 164608626

IUPAC1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol
SMILESC/C=C/c1ccc(Oc2ccc(C(O)C(C)O)cc2OC)c(OC)c1
InChIInChI=1S/C20H24O5/c1-5-6-14-7-9-16(18(11-14)23-3)25-17-10-8-15(12-19(17)24-4)20(22)13(2)21/h5-13,20-22H,1-4H3/b6-5+
InChIKeyDVFFJGQWXMICND-AATRIKPKSA-N
MW344.41 g/mol
LogP3.94
Rot. Bonds7

About 1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol

1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol (PubChem CID 164608626) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol.

Molecular Properties

Compound Name1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol
PubChem CID164608626
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol
SMILESC/C=C/c1ccc(Oc2ccc(C(O)C(C)O)cc2OC)c(OC)c1
InChIInChI=1S/C20H24O5/c1-5-6-14-7-9-16(18(11-14)23-3)25-17-10-8-15(12-19(17)24-4)20(22)13(2)21/h5-13,20-22H,1-4H3/b6-5+
InChIKeyDVFFJGQWXMICND-AATRIKPKSA-N
XLogP3.94
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol with MolForge

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Related Compounds

acetonitrile;1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol;1-(3-methoxy-4-methylphenyl)propane-1,2-diol;2-methoxy-1-methyl-4-[(E)-prop-1-enyl]benzene;2-methoxy-4-[(E)-prop-1-enyl]phenol
CID 162108513
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 6125186
(1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol
CID 101225308
(1R,2R)-1-(1,3-benzodioxol-5-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-1-ol
CID 71575494
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
[2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate
CID 21160693
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
CID 6428969
3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
CID 20839076
(1R,2R)-1-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 14123326
(E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol
CID 102287543
(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
CID 10353281
[(2S)-butan-2-yl]-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
CID 2184410

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol?
The IUPAC name of 1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol (CID 164608626) is 1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol.
What is the SMILES notation for 1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol?
The canonical SMILES for 1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol is C/C=C/c1ccc(Oc2ccc(C(O)C(C)O)cc2OC)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol?
The InChIKey is DVFFJGQWXMICND-AATRIKPKSA-N. The full InChI is InChI=1S/C20H24O5/c1-5-6-14-7-9-16(18(11-14)23-3)25-17-10-8-15(12-19(17)24-4)20(22)13(2)21/h5-13,20-22H,1-4H3/b6-5+.
What are the key properties of 1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol?
1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol has a molecular weight of 344.41 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol is sourced from PubChem (CID 164608626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).