2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene

C17H18O3 — CID 54126247

IUPAC2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
SMILESCOC=Cc1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C17H18O3/c1-18-11-10-14-8-9-16(17(12-14)19-2)20-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyNRDVYBSWNXJQAY-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.89
Rot. Bonds6

About 2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene

2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene (PubChem CID 54126247) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
PubChem CID54126247
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
SMILESCOC=Cc1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C17H18O3/c1-18-11-10-14-8-9-16(17(12-14)19-2)20-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyNRDVYBSWNXJQAY-UHFFFAOYSA-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-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
N-[4-(3-methoxy-4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine
CID 739210
4-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]-2-phenylmethoxybenzene
CID 68987704
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene
CID 68986877
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 96885458
2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methylidene]butanedial
CID 85426297
4-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1-[2-[2-[4-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium
CID 89191654
(E)-N-benzyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188981

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene?
The IUPAC name of 2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene (CID 54126247) is 2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene.
What is the SMILES notation for 2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene?
The canonical SMILES for 2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene is COC=Cc1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of 2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene?
The InChIKey is NRDVYBSWNXJQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-18-11-10-14-8-9-16(17(12-14)19-2)20-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3.
What are the key properties of 2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene?
2-methoxy-4-(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 2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene is sourced from PubChem (CID 54126247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).