(11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol

C15H14O4 — CID 123336410

IUPAC(11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol
SMILESC[C@H]1Cc2cccc(O)c2Oc2cc(O)ccc2O1
InChIInChI=1S/C15H14O4/c1-9-7-10-3-2-4-12(17)15(10)19-14-8-11(16)5-6-13(14)18-9/h2-6,8-9,16-17H,7H2,1H3/t9-/m0/s1
InChIKeyXZNUYTUFGSOHFI-VIFPVBQESA-N
MW258.27 g/mol
LogP3.21
Rot. Bonds

About (11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol

(11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol (PubChem CID 123336410) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is (11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol.

Molecular Properties

Compound Name(11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol
PubChem CID123336410
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol
SMILESC[C@H]1Cc2cccc(O)c2Oc2cc(O)ccc2O1
InChIInChI=1S/C15H14O4/c1-9-7-10-3-2-4-12(17)15(10)19-14-8-11(16)5-6-13(14)18-9/h2-6,8-9,16-17H,7H2,1H3/t9-/m0/s1
InChIKeyXZNUYTUFGSOHFI-VIFPVBQESA-N
XLogP3.21
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 21485134
2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 23175924
(3S)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 10921069
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
CID 117292711
9H-xanthen-4-ol
CID 12554333
2,16-dioxapentacyclo[23.2.2.13,7.010,15.017,22]triaconta-1(27),3,5,7(30),10(15),11,13,17(22),18,20,25,28-dodecaene-4,12,18-triol
CID 71593293
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
CID 176929787

Frequently Asked Questions

What is the IUPAC name of (11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol?
The IUPAC name of (11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol (CID 123336410) is (11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol.
What is the SMILES notation for (11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol?
The canonical SMILES for (11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol is C[C@H]1Cc2cccc(O)c2Oc2cc(O)ccc2O1.
What is the InChIKey of (11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol?
The InChIKey is XZNUYTUFGSOHFI-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14O4/c1-9-7-10-3-2-4-12(17)15(10)19-14-8-11(16)5-6-13(14)18-9/h2-6,8-9,16-17H,7H2,1H3/t9-/m0/s1.
What are the key properties of (11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol?
(11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol has a molecular weight of 258.27 g/mol, XLogP of 3.21, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-methyl-11,12-dihydrobenzo[d][1,6]benzodioxocine-4,7-diol is sourced from PubChem (CID 123336410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).