(5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol

C14H18O3 — CID 10376736

IUPAC(5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
SMILESCOc1cc2c(cc1O)[C@H]1CCCC[C@@]1(C)O2
InChIInChI=1S/C14H18O3/c1-14-6-4-3-5-10(14)9-7-11(15)13(16-2)8-12(9)17-14/h7-8,10,15H,3-6H2,1-2H3/t10-,14-/m1/s1
InChIKeyWRAMNCBHXBNESA-QMTHXVAHSA-N
MW234.29 g/mol
LogP3.21
Rot. Bonds1

About (5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol

(5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol (PubChem CID 10376736) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol.

Molecular Properties

Compound Name(5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
PubChem CID10376736
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
SMILESCOc1cc2c(cc1O)[C@H]1CCCC[C@@]1(C)O2
InChIInChI=1S/C14H18O3/c1-14-6-4-3-5-10(14)9-7-11(15)13(16-2)8-12(9)17-14/h7-8,10,15H,3-6H2,1-2H3/t10-,14-/m1/s1
InChIKeyWRAMNCBHXBNESA-QMTHXVAHSA-N
XLogP3.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol with MolForge

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Related Compounds

3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
CID 627722
7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 10176661
3a,6-dimethyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxamide
CID 118096817
3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 163922079
[(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol
CID 143114036
8-methoxydibenzo-p-dioxin-2,3,7-triol
CID 71171145
6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 14334290
6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
CID 13422120
(4aS,6aS,12bS)-10-methoxy-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6-hexahydrobenzo[a]xanthen-9-ol
CID 10914853
(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol
CID 104948836
ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
CID 142271097
(3S,4R)-3-bromo-6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 14561850

Frequently Asked Questions

What is the IUPAC name of (5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol?
The IUPAC name of (5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol (CID 10376736) is (5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol.
What is the SMILES notation for (5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol?
The canonical SMILES for (5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol is COc1cc2c(cc1O)[C@H]1CCCC[C@@]1(C)O2.
What is the InChIKey of (5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol?
The InChIKey is WRAMNCBHXBNESA-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H18O3/c1-14-6-4-3-5-10(14)9-7-11(15)13(16-2)8-12(9)17-14/h7-8,10,15H,3-6H2,1-2H3/t10-,14-/m1/s1.
What are the key properties of (5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol?
(5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol has a molecular weight of 234.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol is sourced from PubChem (CID 10376736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).