1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene

C26H28O — CID 67677624

IUPAC1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene
SMILESC/C=C\c1ccc(-c2ccc(-c3ccc(COCCCC)cc3)cc2)cc1
InChIInChI=1S/C26H28O/c1-3-5-19-27-20-22-9-13-24(14-10-22)26-17-15-25(16-18-26)23-11-7-21(6-4-2)8-12-23/h4,6-18H,3,5,19-20H2,1-2H3/b6-4-
InChIKeyDIRUTGRPCCQCNH-XQRVVYSFSA-N
MW356.51 g/mol
LogP7.37
Rot. Bonds8

About 1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene

1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene (PubChem CID 67677624) has the molecular formula C26H28O and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene
PubChem CID67677624
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene
SMILESC/C=C\c1ccc(-c2ccc(-c3ccc(COCCCC)cc3)cc2)cc1
InChIInChI=1S/C26H28O/c1-3-5-19-27-20-22-9-13-24(14-10-22)26-17-15-25(16-18-26)23-11-7-21(6-4-2)8-12-23/h4,6-18H,3,5,19-20H2,1-2H3/b6-4-
InChIKeyDIRUTGRPCCQCNH-XQRVVYSFSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(butoxymethyl)phenyl]ethenyl-trimethylazanium
CID 87407094
1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene
CID 67677589
1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene
CID 176777881
3-[4-(2-butoxyethoxymethyl)phenyl]prop-2-enoic acid
CID 76908750
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene
CID 139620360
1-methyl-4-(octoxymethyl)benzene
CID 86156710
1-butyl-4-[4-(prop-2-enoxymethyl)phenyl]benzene
CID 67893959
1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
butoxymethylbenzene;ethane
CID 145341806
1-(butoxymethyl)-4-methylsulfanylbenzene
CID 54189278
1-[(E)-prop-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991601

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene?
The IUPAC name of 1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene (CID 67677624) is 1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene?
The canonical SMILES for 1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene is C/C=C\c1ccc(-c2ccc(-c3ccc(COCCCC)cc3)cc2)cc1.
What is the InChIKey of 1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene?
The InChIKey is DIRUTGRPCCQCNH-XQRVVYSFSA-N. The full InChI is InChI=1S/C26H28O/c1-3-5-19-27-20-22-9-13-24(14-10-22)26-17-15-25(16-18-26)23-11-7-21(6-4-2)8-12-23/h4,6-18H,3,5,19-20H2,1-2H3/b6-4-.
What are the key properties of 1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene?
1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene has a molecular weight of 356.51 g/mol, XLogP of 7.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene is sourced from PubChem (CID 67677624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).