10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene

C15H18O — CID 123917894

IUPAC10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene
SMILESCOC1C2=C(CCC=C2)CC2C=CC=CC21
InChIInChI=1S/C15H18O/c1-16-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2,4-6,8-9,11,13,15H,3,7,10H2,1H3
InChIKeyHFQYWMXOOFYNBL-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.41
Rot. Bonds1

About 10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene

10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene (PubChem CID 123917894) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene.

Molecular Properties

Compound Name10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene
PubChem CID123917894
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene
SMILESCOC1C2=C(CCC=C2)CC2C=CC=CC21
InChIInChI=1S/C15H18O/c1-16-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2,4-6,8-9,11,13,15H,3,7,10H2,1H3
InChIKeyHFQYWMXOOFYNBL-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,4S,4aS,8aR)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 100982633
(4aS,7R,8aR)-3-ethenyl-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-chromene
CID 44433591
(2S,4S,4aS,8aS)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 15484403
(1S,4S)-5-methyl-1-propan-2-yl-2-oxabicyclo[2.2.2]oct-5-ene
CID 639008
(8aS)-8a-ethyl-2,7,8-trimethyl-2,3,4,8-tetrahydrochromene
CID 129151706
(2S,4S)-2-ethenyl-4-ethyl-3,4,4a,5,8,8a-hexahydro-2H-chromene
CID 163669481
11-Ethoxy-11-fluorobicyclo[5.3.1]undeca-7,9-diene
CID 11009197
11-Fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene
CID 11745568
2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene
CID 58787098
9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
CID 71170261
(3S,5S)-5-ethenyl-2-[(4R)-4-fluorocyclohexen-1-yl]-1-methyl-3-propan-2-yloxycyclohexene
CID 118018328
(6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene
CID 118018675

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene?
The IUPAC name of 10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene (CID 123917894) is 10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene.
What is the SMILES notation for 10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene?
The canonical SMILES for 10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene is COC1C2=C(CCC=C2)CC2C=CC=CC21.
What is the InChIKey of 10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene?
The InChIKey is HFQYWMXOOFYNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-16-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2,4-6,8-9,11,13,15H,3,7,10H2,1H3.
What are the key properties of 10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene?
10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene has a molecular weight of 214.31 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-1,2,8a,9,10,10a-hexahydroanthracene is sourced from PubChem (CID 123917894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).