(3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene

C12H16O — CID 134228164

IUPAC(3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene
SMILESCc1ccc2c(c1)CO[C@H](C)C2C
InChIInChI=1S/C12H16O/c1-8-4-5-12-9(2)10(3)13-7-11(12)6-8/h4-6,9-10H,7H2,1-3H3/t9?,10-/m1/s1
InChIKeyUOUWMKGIHJVYAC-QVDQXJPCSA-N
MW176.26 g/mol
LogP3.02
Rot. Bonds

About (3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene

(3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene (PubChem CID 134228164) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name(3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene
PubChem CID134228164
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene
SMILESCc1ccc2c(c1)CO[C@H](C)C2C
InChIInChI=1S/C12H16O/c1-8-4-5-12-9(2)10(3)13-7-11(12)6-8/h4-6,9-10H,7H2,1-3H3/t9?,10-/m1/s1
InChIKeyUOUWMKGIHJVYAC-QVDQXJPCSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 170728886
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105427752
8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene
CID 14216292
1,1-difluoro-3,7-dimethyl-3,4-dihydroisochromene;4,4-difluoro-3,7-dimethyl-1,3-dihydroisochromene;3,7-dimethyl-3,4-dihydro-1H-isochromene;3-fluoro-3,7-dimethyl-1,4-dihydroisochromene;1,1,3,4,4-pentafluoro-3,7-dimethylisochromene;1,1,3-trifluoro-3,7-dimethyl-4H-isochromene;3,4,4-trifluoro-3,7-dimethyl-1H-isochromene;3,4,7-trimethyl-3,4-dihydro-1H-isochromene
CID 157441627
(3R,4R)-3-butyl-7-methoxy-4-methyl-3,4-dihydro-1H-isochromene
CID 177207233
(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 86326273
(4S)-4,6-dimethyl-3,4-dihydro-1H-isochromene
CID 134221484
2,6,9,10-tetramethyl-9,10-dihydroanthracene
CID 140827349
CID 143501304
CID 143501304
5,5'-dimethyl-1,1'-spirobi[3H-2,1λ4-benzoxaselenole]
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Frequently Asked Questions

What is the IUPAC name of (3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene?
The IUPAC name of (3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene (CID 134228164) is (3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene.
What is the SMILES notation for (3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene?
The canonical SMILES for (3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene is Cc1ccc2c(c1)CO[C@H](C)C2C.
What is the InChIKey of (3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene?
The InChIKey is UOUWMKGIHJVYAC-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H16O/c1-8-4-5-12-9(2)10(3)13-7-11(12)6-8/h4-6,9-10H,7H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene?
(3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene has a molecular weight of 176.26 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4,7-trimethyl-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 134228164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).