5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol

C18H20O4 — CID 69203269

IUPAC5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol
SMILESCC=C(c1cc(OC)cc(OC)c1)c1ccc(OC)c(O)c1
InChIInChI=1S/C18H20O4/c1-5-16(12-6-7-18(22-4)17(19)10-12)13-8-14(20-2)11-15(9-13)21-3/h5-11,19H,1-4H3
InChIKeyMPUREEUXQTXPRX-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.87
Rot. Bonds5

About 5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol

5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol (PubChem CID 69203269) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol
PubChem CID69203269
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol
SMILESCC=C(c1cc(OC)cc(OC)c1)c1ccc(OC)c(O)c1
InChIInChI=1S/C18H20O4/c1-5-16(12-6-7-18(22-4)17(19)10-12)13-8-14(20-2)11-15(9-13)21-3/h5-11,19H,1-4H3
InChIKeyMPUREEUXQTXPRX-UHFFFAOYSA-N
XLogP3.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(E)-1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene
CID 69202625
1-[1-(3,4-dimethoxyphenyl)but-1-en-3-ynyl]-3,5-dimethoxybenzene
CID 58607138
4-(3,4-dimethoxyphenyl)-4-(3,5-dimethoxyphenyl)but-3-en-2-one
CID 69203662
3-hydroxy-4-methoxybenzoic acid
CID 12575
1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene
CID 59021042
(Z)-3-(3,5-dimethoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enenitrile
CID 56649669
3-(3-ethoxy-4-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enenitrile
CID 69202696
3-(4-amino-3-methoxyphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enenitrile
CID 69202478
3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
CID 50930804
2-chloro-1-(3-hydroxy-4-methoxyphenyl)ethanone
CID 15110269
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
CID 82858870
1-(3-hydroxy-4-methoxyphenyl)-2-methylbut-3-en-1-one
CID 134378120

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol?
The IUPAC name of 5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol (CID 69203269) is 5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol.
What is the SMILES notation for 5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol?
The canonical SMILES for 5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol is CC=C(c1cc(OC)cc(OC)c1)c1ccc(OC)c(O)c1.
What is the InChIKey of 5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol?
The InChIKey is MPUREEUXQTXPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-5-16(12-6-7-18(22-4)17(19)10-12)13-8-14(20-2)11-15(9-13)21-3/h5-11,19H,1-4H3.
What are the key properties of 5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol?
5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol has a molecular weight of 300.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dimethoxyphenyl)prop-1-enyl]-2-methoxyphenol is sourced from PubChem (CID 69203269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).