3-methyl-3-phenyl-1,4-dihydroisochromene

C16H16O — CID 15187031

IUPAC3-methyl-3-phenyl-1,4-dihydroisochromene
SMILESCC1(c2ccccc2)Cc2ccccc2CO1
InChIInChI=1S/C16H16O/c1-16(15-9-3-2-4-10-15)11-13-7-5-6-8-14(13)12-17-16/h2-10H,11-12H2,1H3
InChIKeyPATHWOCAJARLQU-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.67
Rot. Bonds1

About 3-methyl-3-phenyl-1,4-dihydroisochromene

3-methyl-3-phenyl-1,4-dihydroisochromene (PubChem CID 15187031) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-methyl-3-phenyl-1,4-dihydroisochromene.

Molecular Properties

Compound Name3-methyl-3-phenyl-1,4-dihydroisochromene
PubChem CID15187031
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name3-methyl-3-phenyl-1,4-dihydroisochromene
SMILESCC1(c2ccccc2)Cc2ccccc2CO1
InChIInChI=1S/C16H16O/c1-16(15-9-3-2-4-10-15)11-13-7-5-6-8-14(13)12-17-16/h2-10H,11-12H2,1H3
InChIKeyPATHWOCAJARLQU-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-1,4-dihydroisochromene?
The IUPAC name of 3-methyl-3-phenyl-1,4-dihydroisochromene (CID 15187031) is 3-methyl-3-phenyl-1,4-dihydroisochromene.
What is the SMILES notation for 3-methyl-3-phenyl-1,4-dihydroisochromene?
The canonical SMILES for 3-methyl-3-phenyl-1,4-dihydroisochromene is CC1(c2ccccc2)Cc2ccccc2CO1.
What is the InChIKey of 3-methyl-3-phenyl-1,4-dihydroisochromene?
The InChIKey is PATHWOCAJARLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-16(15-9-3-2-4-10-15)11-13-7-5-6-8-14(13)12-17-16/h2-10H,11-12H2,1H3.
What are the key properties of 3-methyl-3-phenyl-1,4-dihydroisochromene?
3-methyl-3-phenyl-1,4-dihydroisochromene has a molecular weight of 224.30 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-1,4-dihydroisochromene is sourced from PubChem (CID 15187031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).