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

C18H20O2 — CID 90367929

IUPAC1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCC)c(OCc2ccccc2)c1
InChIInChI=1S/C18H20O2/c1-3-8-15-11-12-17(19-4-2)18(13-15)20-14-16-9-6-5-7-10-16/h3,5-13H,4,14H2,1-2H3/b8-3+
InChIKeyHESGLQNUDTYIMK-FPYGCLRLSA-N
MW268.36 g/mol
LogP4.70
Rot. Bonds6

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

1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene (PubChem CID 90367929) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
PubChem CID90367929
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCC)c(OCc2ccccc2)c1
InChIInChI=1S/C18H20O2/c1-3-8-15-11-12-17(19-4-2)18(13-15)20-14-16-9-6-5-7-10-16/h3,5-13H,4,14H2,1-2H3/b8-3+
InChIKeyHESGLQNUDTYIMK-FPYGCLRLSA-N
XLogP4.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90350663
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide
CID 169466602
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
2-[[(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534978
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
3-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 22684129
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854326

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene (CID 90367929) is 1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene is C/C=C/c1ccc(OCC)c(OCc2ccccc2)c1.
What is the InChIKey of 1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene?
The InChIKey is HESGLQNUDTYIMK-FPYGCLRLSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-8-15-11-12-17(19-4-2)18(13-15)20-14-16-9-6-5-7-10-16/h3,5-13H,4,14H2,1-2H3/b8-3+.
What are the key properties of 1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene?
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene has a molecular weight of 268.36 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 90367929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).