10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene

C16H18O — CID 71499800

IUPAC10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene
SMILESCOc1c2c(c3ccccc3c1C)CCCC2
InChIInChI=1S/C16H18O/c1-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16(11)17-2/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyFPRXGGFXFADYEX-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.04
Rot. Bonds1

About 10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene

10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene (PubChem CID 71499800) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene.

Molecular Properties

Compound Name10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene
PubChem CID71499800
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene
SMILESCOc1c2c(c3ccccc3c1C)CCCC2
InChIInChI=1S/C16H18O/c1-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16(11)17-2/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyFPRXGGFXFADYEX-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene?
The IUPAC name of 10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene (CID 71499800) is 10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene.
What is the SMILES notation for 10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene?
The canonical SMILES for 10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene is COc1c2c(c3ccccc3c1C)CCCC2.
What is the InChIKey of 10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene?
The InChIKey is FPRXGGFXFADYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16(11)17-2/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of 10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene?
10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene has a molecular weight of 226.32 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene is sourced from PubChem (CID 71499800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).