(2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol

C28H34N2O4 — CID 139039107

IUPAC(2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol
SMILESCO[C@@]12CCc3ccccc3C1=N[C@](C)(O)C2.CO[C@@]12CCc3ccccc3C1=N[C@](C)(O)C2
InChIInChI=1S/2C14H17NO2/c2*1-13(16)9-14(17-2)8-7-10-5-3-4-6-11(10)12(14)15-13/h2*3-6,16H,7-9H2,1-2H3/t2*13-,14-/m11/s1
InChIKeyYKQLQZCGYGCKOY-IWYXBRTKSA-N
MW462.59 g/mol
LogP3.84
Rot. Bonds2

About (2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol

(2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol (PubChem CID 139039107) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is (2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol.

Molecular Properties

Compound Name(2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol
PubChem CID139039107
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC Name(2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol
SMILESCO[C@@]12CCc3ccccc3C1=N[C@](C)(O)C2.CO[C@@]12CCc3ccccc3C1=N[C@](C)(O)C2
InChIInChI=1S/2C14H17NO2/c2*1-13(16)9-14(17-2)8-7-10-5-3-4-6-11(10)12(14)15-13/h2*3-6,16H,7-9H2,1-2H3/t2*13-,14-/m11/s1
InChIKeyYKQLQZCGYGCKOY-IWYXBRTKSA-N
XLogP3.84
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 101167779
2-methoxy-2-methyl-3,4-dihydrochromene
CID 15054836
9,10-dihydrophenanthrene;ethane
CID 143759681
4a-methyl-2,2-di(propan-2-yl)-5,6-dihydrobenzo[f][1,4]benzoxazin-3-one
CID 11098584
(10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one
CID 71388427
2-(hydroxymethyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 11344499
1-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 22367227
4-methoxy-4-phenylcyclohexan-1-one
CID 22492992
methyl 2-bromo-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 101369377
methyl 3-(3a-methyl-2,3,4,5-tetrahydrocyclopenta[a]naphthalen-1-yl)-3-oxopropanoate
CID 101469190
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460

Frequently Asked Questions

What is the IUPAC name of (2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol?
The IUPAC name of (2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol (CID 139039107) is (2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol.
What is the SMILES notation for (2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol?
The canonical SMILES for (2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol is CO[C@@]12CCc3ccccc3C1=N[C@](C)(O)C2.CO[C@@]12CCc3ccccc3C1=N[C@](C)(O)C2.
What is the InChIKey of (2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol?
The InChIKey is YKQLQZCGYGCKOY-IWYXBRTKSA-N. The full InChI is InChI=1S/2C14H17NO2/c2*1-13(16)9-14(17-2)8-7-10-5-3-4-6-11(10)12(14)15-13/h2*3-6,16H,7-9H2,1-2H3/t2*13-,14-/m11/s1.
What are the key properties of (2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol?
(2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol has a molecular weight of 462.59 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol is sourced from PubChem (CID 139039107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).