6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene

C15H20O — CID 134188965

IUPAC6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
SMILESCOc1ccc2c(c1)C1CCCCC1CC2
InChIInChI=1S/C15H20O/c1-16-13-9-8-12-7-6-11-4-2-3-5-14(11)15(12)10-13/h8-11,14H,2-7H2,1H3
InChIKeyXQSRSXQTMJNPGO-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.92
Rot. Bonds1

About 6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene

6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene (PubChem CID 134188965) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene.

Molecular Properties

Compound Name6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
PubChem CID134188965
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
SMILESCOc1ccc2c(c1)C1CCCCC1CC2
InChIInChI=1S/C15H20O/c1-16-13-9-8-12-7-6-11-4-2-3-5-14(11)15(12)10-13/h8-11,14H,2-7H2,1H3
InChIKeyXQSRSXQTMJNPGO-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpiperidine
CID 178102694
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CID 67194889
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine
CID 79368569
6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 142456783
7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 68524779
(1-cyclopentyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115057908
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one
CID 21461194
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine
CID 21461147
4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole
CID 70279955
8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene
CID 58257789

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The IUPAC name of 6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene (CID 134188965) is 6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene.
What is the SMILES notation for 6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The canonical SMILES for 6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene is COc1ccc2c(c1)C1CCCCC1CC2.
What is the InChIKey of 6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The InChIKey is XQSRSXQTMJNPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-16-13-9-8-12-7-6-11-4-2-3-5-14(11)15(12)10-13/h8-11,14H,2-7H2,1H3.
What are the key properties of 6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene has a molecular weight of 216.32 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene is sourced from PubChem (CID 134188965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).