1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene

C20H24O3 — CID 90350663

IUPAC1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCCCOC)c(OCc2ccccc2)c1
InChIInChI=1S/C20H24O3/c1-3-8-17-11-12-19(22-14-7-13-21-2)20(15-17)23-16-18-9-5-4-6-10-18/h3-6,8-12,15H,7,13-14,16H2,1-2H3/b8-3+
InChIKeyJPWGKHLWNHKYQL-FPYGCLRLSA-N
MW312.41 g/mol
LogP4.71
Rot. Bonds9

About 1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene

1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene (PubChem CID 90350663) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
PubChem CID90350663
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCCCOC)c(OCc2ccccc2)c1
InChIInChI=1S/C20H24O3/c1-3-8-17-11-12-19(22-14-7-13-21-2)20(15-17)23-16-18-9-5-4-6-10-18/h3-6,8-12,15H,7,13-14,16H2,1-2H3/b8-3+
InChIKeyJPWGKHLWNHKYQL-FPYGCLRLSA-N
XLogP4.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
1-(3-methoxypropoxy)-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 86730354
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
1,2-bis(methoxymethoxy)-4-[(E)-prop-1-enyl]benzene
CID 58923294
N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine
CID 2934924
1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene
CID 135296706
1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine
CID 2232243
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine
CID 59494923
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene (CID 90350663) is 1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene is C/C=C/c1ccc(OCCCOC)c(OCc2ccccc2)c1.
What is the InChIKey of 1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene?
The InChIKey is JPWGKHLWNHKYQL-FPYGCLRLSA-N. The full InChI is InChI=1S/C20H24O3/c1-3-8-17-11-12-19(22-14-7-13-21-2)20(15-17)23-16-18-9-5-4-6-10-18/h3-6,8-12,15H,7,13-14,16H2,1-2H3/b8-3+.
What are the key properties of 1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene?
1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene has a molecular weight of 312.41 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 90350663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).