1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate

C17H18O3 — CID 161433806

IUPAC1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate
SMILESC=Cc1ccc(CC)cc1.O=COc1ccccc1O
InChIInChI=1S/C10H12.C7H6O3/c1-3-9-5-7-10(4-2)8-6-9;8-5-10-7-4-2-1-3-6(7)9/h3,5-8H,1,4H2,2H3;1-5,9H
InChIKeyVYJILCKVOORVPX-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.82
Rot. Bonds4

About 1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate

1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate (PubChem CID 161433806) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate.

Molecular Properties

Compound Name1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate
PubChem CID161433806
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate
SMILESC=Cc1ccc(CC)cc1.O=COc1ccccc1O
InChIInChI=1S/C10H12.C7H6O3/c1-3-9-5-7-10(4-2)8-6-9;8-5-10-7-4-2-1-3-6(7)9/h3,5-8H,1,4H2,2H3;1-5,9H
InChIKeyVYJILCKVOORVPX-UHFFFAOYSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene
CID 159036970
(2-methylphenyl) 4-ethenylbenzoate
CID 101047505
ethylbenzene;methane;styrene;hydrate
CID 169425917
1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene
CID 137319863
1-ethenyl-4-ethylbenzene;3-methylidenehex-1-ene;prop-2-enoic acid;styrene
CID 173451508
(3-hydroxy-2-methylphenyl) formate
CID 153313230
(2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate
CID 174724665
1-ethenyl-4-ethylbenzene;pyrrolidine
CID 174791153
[4-(4-ethylphenyl)phenyl] formate
CID 1393715
1-ethenoxypentane;1-ethenyl-4-ethylbenzene
CID 54369446
ethylbenzene;prop-2-enenitrile;styrene
CID 139367010
bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol
CID 161169173

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate?
The IUPAC name of 1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate (CID 161433806) is 1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate.
What is the SMILES notation for 1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate?
The canonical SMILES for 1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate is C=Cc1ccc(CC)cc1.O=COc1ccccc1O.
What is the InChIKey of 1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate?
The InChIKey is VYJILCKVOORVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C7H6O3/c1-3-9-5-7-10(4-2)8-6-9;8-5-10-7-4-2-1-3-6(7)9/h3,5-8H,1,4H2,2H3;1-5,9H.
What are the key properties of 1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate?
1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate has a molecular weight of 270.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate is sourced from PubChem (CID 161433806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).