4-methylidene-3-phenyl-1H-isochromene

C16H14O — CID 44606905

IUPAC4-methylidene-3-phenyl-1H-isochromene
SMILESC=C1c2ccccc2COC1c1ccccc1
InChIInChI=1S/C16H14O/c1-12-15-10-6-5-9-14(15)11-17-16(12)13-7-3-2-4-8-13/h2-10,16H,1,11H2
InChIKeySRYRGHUKACXQNO-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.97
Rot. Bonds1

About 4-methylidene-3-phenyl-1H-isochromene

4-methylidene-3-phenyl-1H-isochromene (PubChem CID 44606905) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methylidene-3-phenyl-1H-isochromene.

Molecular Properties

Compound Name4-methylidene-3-phenyl-1H-isochromene
PubChem CID44606905
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name4-methylidene-3-phenyl-1H-isochromene
SMILESC=C1c2ccccc2COC1c1ccccc1
InChIInChI=1S/C16H14O/c1-12-15-10-6-5-9-14(15)11-17-16(12)13-7-3-2-4-8-13/h2-10,16H,1,11H2
InChIKeySRYRGHUKACXQNO-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3-phenyl-1H-isochromene?
The IUPAC name of 4-methylidene-3-phenyl-1H-isochromene (CID 44606905) is 4-methylidene-3-phenyl-1H-isochromene.
What is the SMILES notation for 4-methylidene-3-phenyl-1H-isochromene?
The canonical SMILES for 4-methylidene-3-phenyl-1H-isochromene is C=C1c2ccccc2COC1c1ccccc1.
What is the InChIKey of 4-methylidene-3-phenyl-1H-isochromene?
The InChIKey is SRYRGHUKACXQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-12-15-10-6-5-9-14(15)11-17-16(12)13-7-3-2-4-8-13/h2-10,16H,1,11H2.
What are the key properties of 4-methylidene-3-phenyl-1H-isochromene?
4-methylidene-3-phenyl-1H-isochromene has a molecular weight of 222.29 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-phenyl-1H-isochromene is sourced from PubChem (CID 44606905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).