1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene

C17H18O2 — CID 59021042

IUPAC1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene
SMILESC/C=C(\c1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H18O2/c1-4-15(13-8-6-5-7-9-13)14-10-11-16(18-2)17(12-14)19-3/h4-12H,1-3H3/b15-4+
InChIKeyNNSDYZRUOBOAJJ-SYZQJQIISA-N
MW254.33 g/mol
LogP4.16
Rot. Bonds4

About 1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene

1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene (PubChem CID 59021042) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene
PubChem CID59021042
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene
SMILESC/C=C(\c1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H18O2/c1-4-15(13-8-6-5-7-9-13)14-10-11-16(18-2)17(12-14)19-3/h4-12H,1-3H3/b15-4+
InChIKeyNNSDYZRUOBOAJJ-SYZQJQIISA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene
CID 69202625
1,4-dimethoxy-2-[(Z)-1-phenylprop-1-enyl]benzene
CID 102082357
1,4-dimethoxy-2-[(E)-1-phenylprop-1-enyl]benzene
CID 102370228
(Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid
CID 19421560
3,3-bis(3,4-dimethoxyphenyl)prop-2-enal
CID 14347231
(E)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 67731475
(Z)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 19421512
(Z)-3-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 19421636
4,4-bis(3,4-dimethoxyphenyl)but-3-en-2-one
CID 10154443
(E)-3-(4-methoxy-3-methylphenyl)-3-phenylprop-2-enal
CID 102076702
3,4-dimethoxybenzoic acid;methanol
CID 144580050
1-methyl-3-(1-phenylprop-1-enyl)benzene
CID 54065155

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene (CID 59021042) is 1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene is C/C=C(\c1ccccc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene?
The InChIKey is NNSDYZRUOBOAJJ-SYZQJQIISA-N. The full InChI is InChI=1S/C17H18O2/c1-4-15(13-8-6-5-7-9-13)14-10-11-16(18-2)17(12-14)19-3/h4-12H,1-3H3/b15-4+.
What are the key properties of 1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene?
1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene has a molecular weight of 254.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene is sourced from PubChem (CID 59021042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).