2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene

C20H24O2 — CID 102312295

IUPAC2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene
SMILESCCCCCOc1ccc(/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C20H24O2/c1-3-4-8-15-22-19-14-13-18(16-20(19)21-2)12-11-17-9-6-5-7-10-17/h5-7,9-14,16H,3-4,8,15H2,1-2H3/b12-11+
InChIKeyNHYOMQZVHXQBAE-VAWYXSNFSA-N
MW296.41 g/mol
LogP5.43
Rot. Bonds8

About 2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene

2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene (PubChem CID 102312295) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene
PubChem CID102312295
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene
SMILESCCCCCOc1ccc(/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C20H24O2/c1-3-4-8-15-22-19-14-13-18(16-20(19)21-2)12-11-17-9-6-5-7-10-17/h5-7,9-14,16H,3-4,8,15H2,1-2H3/b12-11+
InChIKeyNHYOMQZVHXQBAE-VAWYXSNFSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.43
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

(E)-3-(4-hexoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 134814022
4-[2-[4-[2-(3,4-didodecoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethylbenzene
CID 167643025
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
1-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxybenzene
CID 101056714
tris[4-[(E)-2-(3,4-dihexoxyphenyl)ethenyl]phenyl]methanol
CID 42624735
1-(8-iodooctoxy)-4-[(E)-2-[4-(8-iodooctoxy)-3-methoxyphenyl]ethenyl]-2-methoxybenzene
CID 176915558
1-heptoxy-2-methoxy-4-[(E)-2-nitroethenyl]benzene
CID 19170401
3,5-bis[(E)-2-(3-methoxy-4-pentoxyphenyl)ethenyl]-1,2-oxazole
CID 46947065
2,5-dibromo-3-[2-(3-methoxy-4-octoxyphenyl)ethenyl]thiophene
CID 141141447
3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
CID 4174981
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
(E)-3-(4-methoxy-3-pentoxyphenyl)prop-2-enenitrile
CID 82161059

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene (CID 102312295) is 2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene is CCCCCOc1ccc(/C=C/c2ccccc2)cc1OC.
What is the InChIKey of 2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene?
The InChIKey is NHYOMQZVHXQBAE-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H24O2/c1-3-4-8-15-22-19-14-13-18(16-20(19)21-2)12-11-17-9-6-5-7-10-17/h5-7,9-14,16H,3-4,8,15H2,1-2H3/b12-11+.
What are the key properties of 2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene?
2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene has a molecular weight of 296.41 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 102312295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).