methane;1-methylphenanthrene

C16H16 — CID 175001905

IUPACmethane;1-methylphenanthrene
SMILESC.Cc1cccc2c1ccc1ccccc12
InChIInChI=1S/C15H12.CH4/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15;/h2-10H,1H3;1H4
InChIKeyOQZYYZLZOFMGTC-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.94
Rot. Bonds

About methane;1-methylphenanthrene

methane;1-methylphenanthrene (PubChem CID 175001905) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is methane;1-methylphenanthrene.

Molecular Properties

Compound Namemethane;1-methylphenanthrene
PubChem CID175001905
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Namemethane;1-methylphenanthrene
SMILESC.Cc1cccc2c1ccc1ccccc12
InChIInChI=1S/C15H12.CH4/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15;/h2-10H,1H3;1H4
InChIKeyOQZYYZLZOFMGTC-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethylphenyl)phenanthrene
CID 175838627
bis(1,7-dimethylphenanthrene);1,8-dimethylphenanthrene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;ethane;triphenylene
CID 161112434
2,9-dimethylpicene
CID 15509
ethane;methane;phenanthrene
CID 144938954
chrysene;iron
CID 157379031
ethane;methane;phenanthrene
CID 144939263
1,5-dimethylnaphthalene
CID 162159355
1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene
CID 158709590
1,6-dimethylphenanthrene;ethane
CID 144939314
1-(2-methylphenyl)picene
CID 173138076
boric acid;4-methylbenzo[a]anthracene
CID 175072566
acetylene;ethane;1-methylnaphthalene
CID 167495690

Frequently Asked Questions

What is the IUPAC name of methane;1-methylphenanthrene?
The IUPAC name of methane;1-methylphenanthrene (CID 175001905) is methane;1-methylphenanthrene.
What is the SMILES notation for methane;1-methylphenanthrene?
The canonical SMILES for methane;1-methylphenanthrene is C.Cc1cccc2c1ccc1ccccc12.
What is the InChIKey of methane;1-methylphenanthrene?
The InChIKey is OQZYYZLZOFMGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12.CH4/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15;/h2-10H,1H3;1H4.
What are the key properties of methane;1-methylphenanthrene?
methane;1-methylphenanthrene has a molecular weight of 208.30 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylphenanthrene is sourced from PubChem (CID 175001905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).