6-methoxy-1,2,3,4-tetrahydrophenanthrene

C15H16O — CID 14828207

IUPAC6-methoxy-1,2,3,4-tetrahydrophenanthrene
SMILESCOc1ccc2ccc3c(c2c1)CCCC3
InChIInChI=1S/C15H16O/c1-16-13-9-8-12-7-6-11-4-2-3-5-14(11)15(12)10-13/h6-10H,2-5H2,1H3
InChIKeyGLEZDDHUQKEKBU-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.73
Rot. Bonds1

About 6-methoxy-1,2,3,4-tetrahydrophenanthrene

6-methoxy-1,2,3,4-tetrahydrophenanthrene (PubChem CID 14828207) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4-tetrahydrophenanthrene.

Molecular Properties

Compound Name6-methoxy-1,2,3,4-tetrahydrophenanthrene
PubChem CID14828207
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name6-methoxy-1,2,3,4-tetrahydrophenanthrene
SMILESCOc1ccc2ccc3c(c2c1)CCCC3
InChIInChI=1S/C15H16O/c1-16-13-9-8-12-7-6-11-4-2-3-5-14(11)15(12)10-13/h6-10H,2-5H2,1H3
InChIKeyGLEZDDHUQKEKBU-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,4-tetrahydrophenanthrene?
The IUPAC name of 6-methoxy-1,2,3,4-tetrahydrophenanthrene (CID 14828207) is 6-methoxy-1,2,3,4-tetrahydrophenanthrene.
What is the SMILES notation for 6-methoxy-1,2,3,4-tetrahydrophenanthrene?
The canonical SMILES for 6-methoxy-1,2,3,4-tetrahydrophenanthrene is COc1ccc2ccc3c(c2c1)CCCC3.
What is the InChIKey of 6-methoxy-1,2,3,4-tetrahydrophenanthrene?
The InChIKey is GLEZDDHUQKEKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-16-13-9-8-12-7-6-11-4-2-3-5-14(11)15(12)10-13/h6-10H,2-5H2,1H3.
What are the key properties of 6-methoxy-1,2,3,4-tetrahydrophenanthrene?
6-methoxy-1,2,3,4-tetrahydrophenanthrene has a molecular weight of 212.29 g/mol, XLogP of 3.73, 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-tetrahydrophenanthrene is sourced from PubChem (CID 14828207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).