3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane

C13H20O3 — CID 144585769

IUPAC3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
SMILESC=C(O)Cc1cc(OC)cc(OC)c1.CC
InChIInChI=1S/C11H14O3.C2H6/c1-8(12)4-9-5-10(13-2)7-11(6-9)14-3;1-2/h5-7,12H,1,4H2,2-3H3;1-2H3
InChIKeyZOWDUVHKLQVWJT-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.34
Rot. Bonds4

About 3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane

3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane (PubChem CID 144585769) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
PubChem CID144585769
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
SMILESC=C(O)Cc1cc(OC)cc(OC)c1.CC
InChIInChI=1S/C11H14O3.C2H6/c1-8(12)4-9-5-10(13-2)7-11(6-9)14-3;1-2/h5-7,12H,1,4H2,2-3H3;1-2H3
InChIKeyZOWDUVHKLQVWJT-UHFFFAOYSA-N
XLogP3.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 144848774
1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
1-(hydroperoxymethyl)-3,5-dimethoxybenzene
CID 89188233
1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene
CID 144594995
3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol
CID 141387049
phosphane;1,3,5-trimethoxybenzene
CID 175232895
2-(3-tert-butyl-5-methoxyphenyl)acetic acid
CID 21199158
1-(3,5-dimethoxyphenyl)-4-hydroxypentan-2-one
CID 24972545
1-(3-ethoxy-5-methoxyphenyl)propan-2-one
CID 166641883
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane?
The IUPAC name of 3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane (CID 144585769) is 3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane is C=C(O)Cc1cc(OC)cc(OC)c1.CC.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane?
The InChIKey is ZOWDUVHKLQVWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.C2H6/c1-8(12)4-9-5-10(13-2)7-11(6-9)14-3;1-2/h5-7,12H,1,4H2,2-3H3;1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane?
3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane has a molecular weight of 224.30 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane is sourced from PubChem (CID 144585769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).