4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene

C17H18O3 — CID 101010762

IUPAC4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene
SMILESCO/C=C/c1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C17H18O3/c1-18-11-10-15-12-16(19-2)8-9-17(15)20-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3/b11-10+
InChIKeySQLWKLWACUPBBT-ZHACJKMWSA-N
MW270.33 g/mol
LogP3.89
Rot. Bonds6

About 4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene

4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene (PubChem CID 101010762) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene.

Molecular Properties

Compound Name4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene
PubChem CID101010762
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene
SMILESCO/C=C/c1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C17H18O3/c1-18-11-10-15-12-16(19-2)8-9-17(15)20-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3/b11-10+
InChIKeySQLWKLWACUPBBT-ZHACJKMWSA-N
XLogP3.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethoxy-2-(2-methoxyethenyl)benzene
CID 67174730
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
4-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]-2-phenylmethoxybenzene
CID 68987704
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
(E)-3-(2-methoxy-5-phenylmethoxyphenyl)prop-2-enoic acid
CID 11414899
2-ethynyl-4-methoxy-1-phenylmethoxybenzene
CID 154814757
3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 68884286
3-[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 76954491
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887380
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene?
The IUPAC name of 4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene (CID 101010762) is 4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene.
What is the SMILES notation for 4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene?
The canonical SMILES for 4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene is CO/C=C/c1cc(OC)ccc1OCc1ccccc1.
What is the InChIKey of 4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene?
The InChIKey is SQLWKLWACUPBBT-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H18O3/c1-18-11-10-15-12-16(19-2)8-9-17(15)20-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3/b11-10+.
What are the key properties of 4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene?
4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene has a molecular weight of 270.33 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene is sourced from PubChem (CID 101010762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).