4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid

C18H24O3 — CID 175473315

IUPAC4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=Cc1ccc(O)cc1.CC1=CCCC1
InChIInChI=1S/C8H8O.C6H10.C4H6O2/c1-2-7-3-5-8(9)6-4-7;1-6-4-2-3-5-6;1-3(2)4(5)6/h2-6,9H,1H2;4H,2-3,5H2,1H3;1H2,2H3,(H,5,6)
InChIKeyFBQOAKPZXXRVQE-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.80
Rot. Bonds2

About 4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid

4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid (PubChem CID 175473315) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid
PubChem CID175473315
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=Cc1ccc(O)cc1.CC1=CCCC1
InChIInChI=1S/C8H8O.C6H10.C4H6O2/c1-2-7-3-5-8(9)6-4-7;1-6-4-2-3-5-6;1-3(2)4(5)6/h2-6,9H,1H2;4H,2-3,5H2,1H3;1H2,2H3,(H,5,6)
InChIKeyFBQOAKPZXXRVQE-UHFFFAOYSA-N
XLogP4.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid?
The IUPAC name of 4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid (CID 175473315) is 4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid.
What is the SMILES notation for 4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid?
The canonical SMILES for 4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=Cc1ccc(O)cc1.CC1=CCCC1.
What is the InChIKey of 4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid?
The InChIKey is FBQOAKPZXXRVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C6H10.C4H6O2/c1-2-7-3-5-8(9)6-4-7;1-6-4-2-3-5-6;1-3(2)4(5)6/h2-6,9H,1H2;4H,2-3,5H2,1H3;1H2,2H3,(H,5,6).
What are the key properties of 4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid?
4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid has a molecular weight of 288.39 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylphenol;1-methylcyclopentene;2-methylprop-2-enoic acid is sourced from PubChem (CID 175473315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).