ethane;6-methyl-3,4-dihydro-1H-isochromene

C12H18O — CID 143262854

IUPACethane;6-methyl-3,4-dihydro-1H-isochromene
SMILESCC.Cc1ccc2c(c1)CCOC2
InChIInChI=1S/C10H12O.C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-2/h2-3,6H,4-5,7H2,1H3;1-2H3
InChIKeyWCEMLKJYBQFQPV-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.09
Rot. Bonds

About ethane;6-methyl-3,4-dihydro-1H-isochromene

ethane;6-methyl-3,4-dihydro-1H-isochromene (PubChem CID 143262854) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is ethane;6-methyl-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Nameethane;6-methyl-3,4-dihydro-1H-isochromene
PubChem CID143262854
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Nameethane;6-methyl-3,4-dihydro-1H-isochromene
SMILESCC.Cc1ccc2c(c1)CCOC2
InChIInChI=1S/C10H12O.C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-2/h2-3,6H,4-5,7H2,1H3;1-2H3
InChIKeyWCEMLKJYBQFQPV-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 3024003
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1-Naphthylmethyl methyl ether
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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-3,4-dihydro-1H-isochromene?
The IUPAC name of ethane;6-methyl-3,4-dihydro-1H-isochromene (CID 143262854) is ethane;6-methyl-3,4-dihydro-1H-isochromene.
What is the SMILES notation for ethane;6-methyl-3,4-dihydro-1H-isochromene?
The canonical SMILES for ethane;6-methyl-3,4-dihydro-1H-isochromene is CC.Cc1ccc2c(c1)CCOC2.
What is the InChIKey of ethane;6-methyl-3,4-dihydro-1H-isochromene?
The InChIKey is WCEMLKJYBQFQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-2/h2-3,6H,4-5,7H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-3,4-dihydro-1H-isochromene?
ethane;6-methyl-3,4-dihydro-1H-isochromene has a molecular weight of 178.27 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 143262854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).