2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene

C17H18O2 — CID 764139

IUPAC2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+
InChIKeyYKSSSKBJDZDZTD-XVNBXDOJSA-N
MW254.33 g/mol
LogP4.31
Rot. Bonds5

About 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene

2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene (PubChem CID 764139) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
PubChem CID764139
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+
InChIKeyYKSSSKBJDZDZTD-XVNBXDOJSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene?
The IUPAC name of 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene (CID 764139) is 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene is C/C=C/c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene?
The InChIKey is YKSSSKBJDZDZTD-XVNBXDOJSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+.
What are the key properties of 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene?
2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene has a molecular weight of 254.33 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 764139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).