2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene

C23H30O2 — CID 155632747

IUPAC2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene
SMILESCOCCOc1ccc(/C=C/c2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C23H30O2/c1-17(2)21-7-6-8-22(18(3)4)23(21)14-11-19-9-12-20(13-10-19)25-16-15-24-5/h6-14,17-18H,15-16H2,1-5H3/b14-11+
InChIKeyKYDUBYCLDOMLRR-SDNWHVSQSA-N
MW338.49 g/mol
LogP6.13
Rot. Bonds8

About 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene

2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene (PubChem CID 155632747) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene
PubChem CID155632747
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene
SMILESCOCCOc1ccc(/C=C/c2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C23H30O2/c1-17(2)21-7-6-8-22(18(3)4)23(21)14-11-19-9-12-20(13-10-19)25-16-15-24-5/h6-14,17-18H,15-16H2,1-5H3/b14-11+
InChIKeyKYDUBYCLDOMLRR-SDNWHVSQSA-N
XLogP6.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene
CID 76670582
3-[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20988505
4-[4-(2-methoxyethoxy)phenyl]but-3-ene-1-thiol
CID 170478872
2-[[3-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 131967080
tetracalcium;octakis(1,2-dimethoxyethane);octakis([2,6-di(propan-2-yl)phenyl]azanide)
CID 139108765
1-(methoxymethoxy)-4-[2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 5098450
1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene
CID 118960625
N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide
CID 134394183
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
barium(2+);tris(1,2-dimethoxyethane);bis(2,6-di(propan-2-yl)phenolate)
CID 139176486
1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene
CID 57090148
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene?
The IUPAC name of 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene (CID 155632747) is 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene?
The canonical SMILES for 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene is COCCOc1ccc(/C=C/c2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene?
The InChIKey is KYDUBYCLDOMLRR-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H30O2/c1-17(2)21-7-6-8-22(18(3)4)23(21)14-11-19-9-12-20(13-10-19)25-16-15-24-5/h6-14,17-18H,15-16H2,1-5H3/b14-11+.
What are the key properties of 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene?
2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene has a molecular weight of 338.49 g/mol, XLogP of 6.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 155632747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).