1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol

C18H20O2 — CID 170789168

IUPAC1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol
SMILESC(Cc1ccc(Oc2ccccc2)cc1)=C1CC1.CO
InChIInChI=1S/C17H16O.CH4O/c1-2-4-16(5-3-1)18-17-12-10-15(11-13-17)9-8-14-6-7-14;1-2/h1-5,8,10-13H,6-7,9H2;2H,1H3
InChIKeyJWYPWHIRAHDBMT-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.35
Rot. Bonds4

About 1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol

1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol (PubChem CID 170789168) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol.

Molecular Properties

Compound Name1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol
PubChem CID170789168
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol
SMILESC(Cc1ccc(Oc2ccccc2)cc1)=C1CC1.CO
InChIInChI=1S/C17H16O.CH4O/c1-2-4-16(5-3-1)18-17-12-10-15(11-13-17)9-8-14-6-7-14;1-2/h1-5,8,10-13H,6-7,9H2;2H,1H3
InChIKeyJWYPWHIRAHDBMT-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol?
The IUPAC name of 1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol (CID 170789168) is 1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol.
What is the SMILES notation for 1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol?
The canonical SMILES for 1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol is C(Cc1ccc(Oc2ccccc2)cc1)=C1CC1.CO.
What is the InChIKey of 1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol?
The InChIKey is JWYPWHIRAHDBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O.CH4O/c1-2-4-16(5-3-1)18-17-12-10-15(11-13-17)9-8-14-6-7-14;1-2/h1-5,8,10-13H,6-7,9H2;2H,1H3.
What are the key properties of 1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol?
1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol has a molecular weight of 268.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylideneethyl)-4-phenoxybenzene;methanol is sourced from PubChem (CID 170789168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).