(4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene

C11H14O — CID 134221248

IUPAC(4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene
SMILESCc1cccc2c1COC[C@H]2C
InChIInChI=1S/C11H14O/c1-8-4-3-5-10-9(2)6-12-7-11(8)10/h3-5,9H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyKULJJYLPHYJUDG-SECBINFHSA-N
MW162.23 g/mol
LogP2.63
Rot. Bonds

About (4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene

(4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene (PubChem CID 134221248) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name(4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene
PubChem CID134221248
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene
SMILESCc1cccc2c1COC[C@H]2C
InChIInChI=1S/C11H14O/c1-8-4-3-5-10-9(2)6-12-7-11(8)10/h3-5,9H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyKULJJYLPHYJUDG-SECBINFHSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene?
The IUPAC name of (4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene (CID 134221248) is (4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene.
What is the SMILES notation for (4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene?
The canonical SMILES for (4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene is Cc1cccc2c1COC[C@H]2C.
What is the InChIKey of (4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene?
The InChIKey is KULJJYLPHYJUDG-SECBINFHSA-N. The full InChI is InChI=1S/C11H14O/c1-8-4-3-5-10-9(2)6-12-7-11(8)10/h3-5,9H,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene?
(4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene has a molecular weight of 162.23 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 134221248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).