1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one

C21H26O3 — CID 174893662

IUPAC1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one
SMILESC/C=C/c1ccc(OC)c(OC)c1.CCC(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14O2.C10H12O/c1-4-5-9-6-7-10(12-2)11(8-9)13-3;1-3-10(11)9-6-4-8(2)5-7-9/h4-8H,1-3H3;4-7H,3H2,1-2H3/b5-4+;
InChIKeyYKXHZZFWNXLNCT-FXRZFVDSSA-N
MW326.44 g/mol
LogP5.32
Rot. Bonds5

About 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one

1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one (PubChem CID 174893662) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one
PubChem CID174893662
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one
SMILESC/C=C/c1ccc(OC)c(OC)c1.CCC(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14O2.C10H12O/c1-4-5-9-6-7-10(12-2)11(8-9)13-3;1-3-10(11)9-6-4-8(2)5-7-9/h4-8H,1-3H3;4-7H,3H2,1-2H3/b5-4+;
InChIKeyYKXHZZFWNXLNCT-FXRZFVDSSA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate
CID 76914392
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
CID 83950881
1-(3,4-dimethoxyphenyl)pent-1-en-3-one
CID 85437711
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907939
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
CID 6428969
N,N-diethyl-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78766081
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 4-carbamoylbenzenesulfonate
CID 46644115
2-(2-methoxy-4-prop-1-enylphenoxy)butanehydrazide
CID 76999474
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
(4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8763804

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one?
The IUPAC name of 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one (CID 174893662) is 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one is C/C=C/c1ccc(OC)c(OC)c1.CCC(=O)c1ccc(C)cc1.
What is the InChIKey of 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one?
The InChIKey is YKXHZZFWNXLNCT-FXRZFVDSSA-N. The full InChI is InChI=1S/C11H14O2.C10H12O/c1-4-5-9-6-7-10(12-2)11(8-9)13-3;1-3-10(11)9-6-4-8(2)5-7-9/h4-8H,1-3H3;4-7H,3H2,1-2H3/b5-4+;.
What are the key properties of 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one?
1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 174893662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).