(7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole

C12H14O2 — CID 143917287

IUPAC(7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
SMILESC[C@H]1CCc2c(ccc3c2OCO3)C1
InChIInChI=1S/C12H14O2/c1-8-2-4-10-9(6-8)3-5-11-12(10)14-7-13-11/h3,5,8H,2,4,6-7H2,1H3/t8-/m0/s1
InChIKeyIANMHPJVHRGISD-QMMMGPOBSA-N
MW190.24 g/mol
LogP2.54
Rot. Bonds

About (7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole

(7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole (PubChem CID 143917287) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole.

Molecular Properties

Compound Name(7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
PubChem CID143917287
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
SMILESC[C@H]1CCc2c(ccc3c2OCO3)C1
InChIInChI=1S/C12H14O2/c1-8-2-4-10-9(6-8)3-5-11-12(10)14-7-13-11/h3,5,8H,2,4,6-7H2,1H3/t8-/m0/s1
InChIKeyIANMHPJVHRGISD-QMMMGPOBSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole
CID 86150963
N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine
CID 139712498
(10R)-6-ethyl-14,16-dioxatetracyclo[10.7.0.03,10.013,17]nonadeca-1(12),13(17),18-triene
CID 143769002
(7R,8R)-8-(3-chloropropyl)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole;propane
CID 143768979
(6aR,10aR)-7-methyl-6,6a,8,9,10a,11-hexahydro-[1,3]benzodioxolo[6,7-g][1,4]benzoxazine
CID 44555139
6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine
CID 163412207
5-ethenyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 177206277
13-methyl-5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene
CID 5209498
6-ethyl-4,5,5a,7,8,8a-hexahydro-[1,3]benzodioxolo[6,7-e]indole
CID 77155611
methyl 7-amino-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole-6-carboxylate
CID 77419962
6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one
CID 23461697
3-(1,3-benzodioxol-5-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 82366332

Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole?
The IUPAC name of (7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole (CID 143917287) is (7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole.
What is the SMILES notation for (7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole?
The canonical SMILES for (7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole is C[C@H]1CCc2c(ccc3c2OCO3)C1.
What is the InChIKey of (7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole?
The InChIKey is IANMHPJVHRGISD-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-2-4-10-9(6-8)3-5-11-12(10)14-7-13-11/h3,5,8H,2,4,6-7H2,1H3/t8-/m0/s1.
What are the key properties of (7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole?
(7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole has a molecular weight of 190.24 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole is sourced from PubChem (CID 143917287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).