4-methylidene-3-octylisochromen-1-one

C18H24O2 — CID 10826080

IUPAC4-methylidene-3-octylisochromen-1-one
SMILESC=C1c2ccccc2C(=O)OC1CCCCCCCC
InChIInChI=1S/C18H24O2/c1-3-4-5-6-7-8-13-17-14(2)15-11-9-10-12-16(15)18(19)20-17/h9-12,17H,2-8,13H2,1H3
InChIKeyIWFUGOLUNNLLPW-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.99
Rot. Bonds7

About 4-methylidene-3-octylisochromen-1-one

4-methylidene-3-octylisochromen-1-one (PubChem CID 10826080) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-methylidene-3-octylisochromen-1-one.

Molecular Properties

Compound Name4-methylidene-3-octylisochromen-1-one
PubChem CID10826080
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name4-methylidene-3-octylisochromen-1-one
SMILESC=C1c2ccccc2C(=O)OC1CCCCCCCC
InChIInChI=1S/C18H24O2/c1-3-4-5-6-7-8-13-17-14(2)15-11-9-10-12-16(15)18(19)20-17/h9-12,17H,2-8,13H2,1H3
InChIKeyIWFUGOLUNNLLPW-UHFFFAOYSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3-octylisochromen-1-one?
The IUPAC name of 4-methylidene-3-octylisochromen-1-one (CID 10826080) is 4-methylidene-3-octylisochromen-1-one.
What is the SMILES notation for 4-methylidene-3-octylisochromen-1-one?
The canonical SMILES for 4-methylidene-3-octylisochromen-1-one is C=C1c2ccccc2C(=O)OC1CCCCCCCC.
What is the InChIKey of 4-methylidene-3-octylisochromen-1-one?
The InChIKey is IWFUGOLUNNLLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-3-4-5-6-7-8-13-17-14(2)15-11-9-10-12-16(15)18(19)20-17/h9-12,17H,2-8,13H2,1H3.
What are the key properties of 4-methylidene-3-octylisochromen-1-one?
4-methylidene-3-octylisochromen-1-one has a molecular weight of 272.39 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-octylisochromen-1-one is sourced from PubChem (CID 10826080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).