3-prop-2-enoxy-4-prop-2-enylphenol

C12H14O2 — CID 14888956

IUPAC3-prop-2-enoxy-4-prop-2-enylphenol
SMILESC=CCOc1cc(O)ccc1CC=C
InChIInChI=1S/C12H14O2/c1-3-5-10-6-7-11(13)9-12(10)14-8-4-2/h3-4,6-7,9,13H,1-2,5,8H2
InChIKeyPHXNQNZZQHWZRP-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.69
Rot. Bonds5

About 3-prop-2-enoxy-4-prop-2-enylphenol

3-prop-2-enoxy-4-prop-2-enylphenol (PubChem CID 14888956) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-prop-2-enoxy-4-prop-2-enylphenol.

Molecular Properties

Compound Name3-prop-2-enoxy-4-prop-2-enylphenol
PubChem CID14888956
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-prop-2-enoxy-4-prop-2-enylphenol
SMILESC=CCOc1cc(O)ccc1CC=C
InChIInChI=1S/C12H14O2/c1-3-5-10-6-7-11(13)9-12(10)14-8-4-2/h3-4,6-7,9,13H,1-2,5,8H2
InChIKeyPHXNQNZZQHWZRP-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3-prop-2-enoxyphenol
CID 18512145
3-phenylmethoxy-4-prop-2-enylphenol
CID 174520142
2-prop-2-enoxy-1,4-bis(prop-2-enyl)benzene
CID 66892127
4-fluoro-3-prop-2-enoxyphenol
CID 11159544
4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 145079777
4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 24770216
3-chloro-4-prop-2-enylphenol
CID 70565458
4-oxo-4-(3-prop-2-enoxy-4-prop-2-enylanilino)but-2-enoic acid
CID 57171984
4-chloro-3-prop-2-enylphenol
CID 67612288
4-bromo-3-prop-2-enylphenol
CID 59860912
4-prop-2-enoxy-2-prop-2-enylphenol
CID 45091477
4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol
CID 11370277

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxy-4-prop-2-enylphenol?
The IUPAC name of 3-prop-2-enoxy-4-prop-2-enylphenol (CID 14888956) is 3-prop-2-enoxy-4-prop-2-enylphenol.
What is the SMILES notation for 3-prop-2-enoxy-4-prop-2-enylphenol?
The canonical SMILES for 3-prop-2-enoxy-4-prop-2-enylphenol is C=CCOc1cc(O)ccc1CC=C.
What is the InChIKey of 3-prop-2-enoxy-4-prop-2-enylphenol?
The InChIKey is PHXNQNZZQHWZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-5-10-6-7-11(13)9-12(10)14-8-4-2/h3-4,6-7,9,13H,1-2,5,8H2.
What are the key properties of 3-prop-2-enoxy-4-prop-2-enylphenol?
3-prop-2-enoxy-4-prop-2-enylphenol has a molecular weight of 190.24 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxy-4-prop-2-enylphenol is sourced from PubChem (CID 14888956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).