4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane

C18H22O2 — CID 142194063

IUPAC4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane
SMILESC=CCc1cc(OC2=CC=CCC=C2)ccc1O.CC
InChIInChI=1S/C16H16O2.C2H6/c1-2-7-13-12-15(10-11-16(13)17)18-14-8-5-3-4-6-9-14;1-2/h2-3,5-6,8-12,17H,1,4,7H2;1-2H3
InChIKeyGINRTUPJCIHTKA-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.93
Rot. Bonds4

About 4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane

4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane (PubChem CID 142194063) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane.

Molecular Properties

Compound Name4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane
PubChem CID142194063
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane
SMILESC=CCc1cc(OC2=CC=CCC=C2)ccc1O.CC
InChIInChI=1S/C16H16O2.C2H6/c1-2-7-13-12-15(10-11-16(13)17)18-14-8-5-3-4-6-9-14;1-2/h2-3,5-6,8-12,17H,1,4,7H2;1-2H3
InChIKeyGINRTUPJCIHTKA-UHFFFAOYSA-N
XLogP4.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.93
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-prop-2-enoxy-2-prop-2-enylphenol
CID 45091477
phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol
CID 157279728
4-(4-methoxyphenyl)-2-prop-2-enylphenol
CID 54757995
4-(3-methylbutoxy)-2-prop-2-enylphenol
CID 24770421
4-hexoxy-2-prop-2-enylphenol;methane
CID 70388285
4-[4-hydroxy-3-[(4-hydroxy-3-prop-2-enylphenyl)methyl]phenoxy]-2-[(4-hydroxyphenyl)methyl]-6-prop-2-enylphenol
CID 57028938
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
ethane;3-ethoxycyclohepta-1,3,5-triene
CID 142833212
dipotassium;3-bromoprop-1-ene;hydride;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenoxy]-2,6-bis(prop-2-enyl)phenol;4-(4-hydroxy-3-prop-2-enylphenoxy)-2-prop-2-enylphenol;oxido formate;1-prop-2-enoxy-4-(4-prop-2-enoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 158938704
5-methoxy-2-prop-2-enylphenol
CID 6424515
2-prop-2-enyl-4-trimethoxysilylphenol
CID 139623862

Frequently Asked Questions

What is the IUPAC name of 4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane?
The IUPAC name of 4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane (CID 142194063) is 4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane.
What is the SMILES notation for 4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane?
The canonical SMILES for 4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane is C=CCc1cc(OC2=CC=CCC=C2)ccc1O.CC.
What is the InChIKey of 4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane?
The InChIKey is GINRTUPJCIHTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2.C2H6/c1-2-7-13-12-15(10-11-16(13)17)18-14-8-5-3-4-6-9-14;1-2/h2-3,5-6,8-12,17H,1,4,7H2;1-2H3.
What are the key properties of 4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane?
4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane has a molecular weight of 270.37 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohepta-1,3,6-trien-1-yloxy-2-prop-2-enylphenol;ethane is sourced from PubChem (CID 142194063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).