4-ethenyl-2-methoxyphenol;1-phenylethanone

C17H18O3 — CID 174742871

IUPAC4-ethenyl-2-methoxyphenol;1-phenylethanone
SMILESC=Cc1ccc(O)c(OC)c1.CC(=O)c1ccccc1
InChIInChI=1S/C9H10O2.C8H8O/c1-3-7-4-5-8(10)9(6-7)11-2;1-7(9)8-5-3-2-4-6-8/h3-6,10H,1H2,2H3;2-6H,1H3
InChIKeyZDTCQXBTNVZYHZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.93
Rot. Bonds3

About 4-ethenyl-2-methoxyphenol;1-phenylethanone

4-ethenyl-2-methoxyphenol;1-phenylethanone (PubChem CID 174742871) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-ethenyl-2-methoxyphenol;1-phenylethanone.

Molecular Properties

Compound Name4-ethenyl-2-methoxyphenol;1-phenylethanone
PubChem CID174742871
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-ethenyl-2-methoxyphenol;1-phenylethanone
SMILESC=Cc1ccc(O)c(OC)c1.CC(=O)c1ccccc1
InChIInChI=1S/C9H10O2.C8H8O/c1-3-7-4-5-8(10)9(6-7)11-2;1-7(9)8-5-3-2-4-6-8/h3-6,10H,1H2,2H3;2-6H,1H3
InChIKeyZDTCQXBTNVZYHZ-UHFFFAOYSA-N
XLogP3.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methoxyphenol;1-phenylethanone?
The IUPAC name of 4-ethenyl-2-methoxyphenol;1-phenylethanone (CID 174742871) is 4-ethenyl-2-methoxyphenol;1-phenylethanone.
What is the SMILES notation for 4-ethenyl-2-methoxyphenol;1-phenylethanone?
The canonical SMILES for 4-ethenyl-2-methoxyphenol;1-phenylethanone is C=Cc1ccc(O)c(OC)c1.CC(=O)c1ccccc1.
What is the InChIKey of 4-ethenyl-2-methoxyphenol;1-phenylethanone?
The InChIKey is ZDTCQXBTNVZYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C8H8O/c1-3-7-4-5-8(10)9(6-7)11-2;1-7(9)8-5-3-2-4-6-8/h3-6,10H,1H2,2H3;2-6H,1H3.
What are the key properties of 4-ethenyl-2-methoxyphenol;1-phenylethanone?
4-ethenyl-2-methoxyphenol;1-phenylethanone has a molecular weight of 270.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methoxyphenol;1-phenylethanone is sourced from PubChem (CID 174742871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).