4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol

C22H26O4 — CID 54520088

IUPAC4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol
SMILESC=CCOc1cc(CCCCc2ccc(O)c(OCC=C)c2)ccc1O
InChIInChI=1S/C22H26O4/c1-3-13-25-21-15-17(9-11-19(21)23)7-5-6-8-18-10-12-20(24)22(16-18)26-14-4-2/h3-4,9-12,15-16,23-24H,1-2,5-8,13-14H2
InChIKeyYPEHFZAZAPZPRB-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.79
Rot. Bonds11

About 4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol

4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol (PubChem CID 54520088) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol.

Molecular Properties

Compound Name4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol
PubChem CID54520088
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol
SMILESC=CCOc1cc(CCCCc2ccc(O)c(OCC=C)c2)ccc1O
InChIInChI=1S/C22H26O4/c1-3-13-25-21-15-17(9-11-19(21)23)7-5-6-8-18-10-12-20(24)22(16-18)26-14-4-2/h3-4,9-12,15-16,23-24H,1-2,5-8,13-14H2
InChIKeyYPEHFZAZAPZPRB-UHFFFAOYSA-N
XLogP4.79
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.79
H-Bond Donors ≤ 52
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

4-iodo-2-prop-2-enoxyphenol
CID 121430000
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
4-(3-chloropropyl)-2-(difluoromethoxy)phenol
CID 118807022
2-(3-methylbutoxy)-4-prop-2-enylphenol
CID 24770349
5-prop-2-enoxynaphthalene-1,4-diol
CID 11148628
CID 69284850
CID 69284850
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
(2-hydroxy-5-pentylphenyl) methanimidate
CID 142271017
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
4-[(8Z,11E)-pentadeca-8,11,14-trienyl]benzene-1,2-diol
CID 101225650
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol?
The IUPAC name of 4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol (CID 54520088) is 4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol.
What is the SMILES notation for 4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol?
The canonical SMILES for 4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol is C=CCOc1cc(CCCCc2ccc(O)c(OCC=C)c2)ccc1O.
What is the InChIKey of 4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol?
The InChIKey is YPEHFZAZAPZPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-3-13-25-21-15-17(9-11-19(21)23)7-5-6-8-18-10-12-20(24)22(16-18)26-14-4-2/h3-4,9-12,15-16,23-24H,1-2,5-8,13-14H2.
What are the key properties of 4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol?
4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol has a molecular weight of 354.45 g/mol, XLogP of 4.79, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol is sourced from PubChem (CID 54520088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).