4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol

C20H22O2 — CID 87393025

IUPAC4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol
SMILESCCCCOC(C=Cc1ccc(O)cc1)=Cc1ccccc1
InChIInChI=1S/C20H22O2/c1-2-3-15-22-20(16-18-7-5-4-6-8-18)14-11-17-9-12-19(21)13-10-17/h4-14,16,21H,2-3,15H2,1H3
InChIKeyFMGQKERKRPAJBR-UHFFFAOYSA-N
MW294.39 g/mol
LogP5.26
Rot. Bonds7

About 4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol

4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol (PubChem CID 87393025) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol.

Molecular Properties

Compound Name4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol
PubChem CID87393025
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol
SMILESCCCCOC(C=Cc1ccc(O)cc1)=Cc1ccccc1
InChIInChI=1S/C20H22O2/c1-2-3-15-22-20(16-18-7-5-4-6-8-18)14-11-17-9-12-19(21)13-10-17/h4-14,16,21H,2-3,15H2,1H3
InChIKeyFMGQKERKRPAJBR-UHFFFAOYSA-N
XLogP5.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

hexacosyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 516554
(2-butoxy-2-methoxyethenyl)benzene
CID 159522831
2-butoxyethenylbenzene;5-(4-hydroxyphenyl)penta-2,4-dienenitrile
CID 173070721
N-butyl-3-(4-hydroxyphenyl)prop-2-enamide
CID 56978455
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
2-butoxy-1,3-diphenylprop-2-en-1-one
CID 57177461
butyl 4-phenylbut-3-enoate
CID 575894
[(1Z,3E)-2-ethoxy-4-phenylbuta-1,3-dienyl]-trimethylsilane
CID 134993692
3-pentoxy-1,4-diphenylbuta-1,3-dien-2-ol
CID 87853239
[(1E,3E)-1-butoxy-4-phenylbuta-1,3-dienyl]benzene
CID 87886241
(1-butoxy-4-phenylbuta-1,3-dienyl)benzene
CID 90913634

Frequently Asked Questions

What is the IUPAC name of 4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol?
The IUPAC name of 4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol (CID 87393025) is 4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol.
What is the SMILES notation for 4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol?
The canonical SMILES for 4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol is CCCCOC(C=Cc1ccc(O)cc1)=Cc1ccccc1.
What is the InChIKey of 4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol?
The InChIKey is FMGQKERKRPAJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-2-3-15-22-20(16-18-7-5-4-6-8-18)14-11-17-9-12-19(21)13-10-17/h4-14,16,21H,2-3,15H2,1H3.
What are the key properties of 4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol?
4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol has a molecular weight of 294.39 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butoxy-4-phenylbuta-1,3-dienyl)phenol is sourced from PubChem (CID 87393025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).