3-methyl-3,4,7,8-tetrahydro-1H-isochromene

C10H14O — CID 145476057

IUPAC3-methyl-3,4,7,8-tetrahydro-1H-isochromene
SMILESCC1CC2=C(CCC=C2)CO1
InChIInChI=1S/C10H14O/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2,4,8H,3,5-7H2,1H3
InChIKeyFWMYJWWBIUHVPS-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.44
Rot. Bonds

About 3-methyl-3,4,7,8-tetrahydro-1H-isochromene

3-methyl-3,4,7,8-tetrahydro-1H-isochromene (PubChem CID 145476057) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-methyl-3,4,7,8-tetrahydro-1H-isochromene.

Molecular Properties

Compound Name3-methyl-3,4,7,8-tetrahydro-1H-isochromene
PubChem CID145476057
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3-methyl-3,4,7,8-tetrahydro-1H-isochromene
SMILESCC1CC2=C(CCC=C2)CO1
InChIInChI=1S/C10H14O/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2,4,8H,3,5-7H2,1H3
InChIKeyFWMYJWWBIUHVPS-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-3,4,7,8-tetrahydro-1H-isochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
CID 101316618
8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 156837988
2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene
CID 143283144
CID 91435549
CID 91435549
1-methyl-1,2,5,6-tetrahydronaphthalene
CID 90700254
(5S,6S)-5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene
CID 58622710
ethane;1-(1,3,4,5-tetrahydroisoindol-2-yl)ethanone
CID 145255312
(2R)-2-methyl-2,3,4,5-tetrahydroindole-1-carbaldehyde
CID 145236764
1,2,3,4,5,6-hexahydroisoquinoline
CID 22152420
3,4,5,6,9,10-hexahydrophenanthrene
CID 123501640
2,3,4,5-tetrahydro-1-benzofuran-2-sulfonamide
CID 155577667
7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene
CID 173020281

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4,7,8-tetrahydro-1H-isochromene?
The IUPAC name of 3-methyl-3,4,7,8-tetrahydro-1H-isochromene (CID 145476057) is 3-methyl-3,4,7,8-tetrahydro-1H-isochromene.
What is the SMILES notation for 3-methyl-3,4,7,8-tetrahydro-1H-isochromene?
The canonical SMILES for 3-methyl-3,4,7,8-tetrahydro-1H-isochromene is CC1CC2=C(CCC=C2)CO1.
What is the InChIKey of 3-methyl-3,4,7,8-tetrahydro-1H-isochromene?
The InChIKey is FWMYJWWBIUHVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2,4,8H,3,5-7H2,1H3.
What are the key properties of 3-methyl-3,4,7,8-tetrahydro-1H-isochromene?
3-methyl-3,4,7,8-tetrahydro-1H-isochromene has a molecular weight of 150.22 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4,7,8-tetrahydro-1H-isochromene is sourced from PubChem (CID 145476057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).