1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene

C23H28O4 — CID 22082109

IUPAC1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene
SMILESC=CCOCCOc1ccc(Cc2ccc(OCCOCC=C)cc2)cc1
InChIInChI=1S/C23H28O4/c1-3-13-24-15-17-26-22-9-5-20(6-10-22)19-21-7-11-23(12-8-21)27-18-16-25-14-4-2/h3-12H,1-2,13-19H2
InChIKeyVXFZRCRCDZSTQP-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.44
Rot. Bonds14

About 1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene

1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene (PubChem CID 22082109) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene
PubChem CID22082109
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene
SMILESC=CCOCCOc1ccc(Cc2ccc(OCCOCC=C)cc2)cc1
InChIInChI=1S/C23H28O4/c1-3-13-24-15-17-26-22-9-5-20(6-10-22)19-21-7-11-23(12-8-21)27-18-16-25-14-4-2/h3-12H,1-2,13-19H2
InChIKeyVXFZRCRCDZSTQP-UHFFFAOYSA-N
XLogP4.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene
CID 59168518
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
4-[(4-prop-2-enoxyphenyl)methyl]phenol
CID 68636078
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone
CID 161243882
4-[4-(4-prop-2-enoxybutoxy)phenyl]benzonitrile
CID 69083579
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 59116280
formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten
CID 162126858
formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 162101397
9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene
CID 135250997
(2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol
CID 58583048

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene?
The IUPAC name of 1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene (CID 22082109) is 1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene.
What is the SMILES notation for 1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene?
The canonical SMILES for 1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene is C=CCOCCOc1ccc(Cc2ccc(OCCOCC=C)cc2)cc1.
What is the InChIKey of 1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene?
The InChIKey is VXFZRCRCDZSTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-3-13-24-15-17-26-22-9-5-20(6-10-22)19-21-7-11-23(12-8-21)27-18-16-25-14-4-2/h3-12H,1-2,13-19H2.
What are the key properties of 1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene?
1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene has a molecular weight of 368.47 g/mol, XLogP of 4.44, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene is sourced from PubChem (CID 22082109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).