1,2-diethoxy-3-(2-phenylethenyl)benzene

C18H20O2 — CID 67865300

IUPAC1,2-diethoxy-3-(2-phenylethenyl)benzene
SMILESCCOc1cccc(C=Cc2ccccc2)c1OCC
InChIInChI=1S/C18H20O2/c1-3-19-17-12-8-11-16(18(17)20-4-2)14-13-15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3
InChIKeyFNWZETNXKUTGOK-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.65
Rot. Bonds6

About 1,2-diethoxy-3-(2-phenylethenyl)benzene

1,2-diethoxy-3-(2-phenylethenyl)benzene (PubChem CID 67865300) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,2-diethoxy-3-(2-phenylethenyl)benzene.

Molecular Properties

Compound Name1,2-diethoxy-3-(2-phenylethenyl)benzene
PubChem CID67865300
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1,2-diethoxy-3-(2-phenylethenyl)benzene
SMILESCCOc1cccc(C=Cc2ccccc2)c1OCC
InChIInChI=1S/C18H20O2/c1-3-19-17-12-8-11-16(18(17)20-4-2)14-13-15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3
InChIKeyFNWZETNXKUTGOK-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-6-(2-phenylethenyl)benzenesulfonic acid
CID 154252253
1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene
CID 165468768
1-ethoxyphenanthrene
CID 19828992
1-ethoxy-3-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 71624359
2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid
CID 169454343
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192
1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene
CID 22755686
1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 11994553
(E)-3-(3-ethoxy-2-prop-2-ynoxyphenyl)prop-2-enoic acid
CID 43366626
3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
CID 43366508

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxy-3-(2-phenylethenyl)benzene?
The IUPAC name of 1,2-diethoxy-3-(2-phenylethenyl)benzene (CID 67865300) is 1,2-diethoxy-3-(2-phenylethenyl)benzene.
What is the SMILES notation for 1,2-diethoxy-3-(2-phenylethenyl)benzene?
The canonical SMILES for 1,2-diethoxy-3-(2-phenylethenyl)benzene is CCOc1cccc(C=Cc2ccccc2)c1OCC.
What is the InChIKey of 1,2-diethoxy-3-(2-phenylethenyl)benzene?
The InChIKey is FNWZETNXKUTGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-19-17-12-8-11-16(18(17)20-4-2)14-13-15-9-6-5-7-10-15/h5-14H,3-4H2,1-2H3.
What are the key properties of 1,2-diethoxy-3-(2-phenylethenyl)benzene?
1,2-diethoxy-3-(2-phenylethenyl)benzene has a molecular weight of 268.36 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxy-3-(2-phenylethenyl)benzene is sourced from PubChem (CID 67865300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).