ethane;methane;9-methylphenanthrene

C18H22 — CID 169171289

IUPACethane;methane;9-methylphenanthrene
SMILESC.CC.Cc1cc2ccccc2c2ccccc12
InChIInChI=1S/C15H12.C2H6.CH4/c1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-2;/h2-10H,1H3;1-2H3;1H4
InChIKeyHZJOYEOWVADTFZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.96
Rot. Bonds

About ethane;methane;9-methylphenanthrene

ethane;methane;9-methylphenanthrene (PubChem CID 169171289) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethane;methane;9-methylphenanthrene.

Molecular Properties

Compound Nameethane;methane;9-methylphenanthrene
PubChem CID169171289
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Nameethane;methane;9-methylphenanthrene
SMILESC.CC.Cc1cc2ccccc2c2ccccc12
InChIInChI=1S/C15H12.C2H6.CH4/c1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-2;/h2-10H,1H3;1-2H3;1H4
InChIKeyHZJOYEOWVADTFZ-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.96
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

ethane;methane;9-methylphenanthrene
CID 144916914
ethane;9-methylphenanthrene;toluene;1,4-xylene
CID 143426197
1,3-dimethylnaphthalene;ethane
CID 145447624
methane;1-methylphenanthrene
CID 175001905
10-methyl-2-propan-2-ylphenanthrene
CID 613068
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
ethane;4-methylnaphthalen-2-amine
CID 144829259
1,3,10-trimethylphenanthrene
CID 12996190
ethane;9-methylanthracene;naphthalene
CID 161226057
10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 24939091

Frequently Asked Questions

What is the IUPAC name of ethane;methane;9-methylphenanthrene?
The IUPAC name of ethane;methane;9-methylphenanthrene (CID 169171289) is ethane;methane;9-methylphenanthrene.
What is the SMILES notation for ethane;methane;9-methylphenanthrene?
The canonical SMILES for ethane;methane;9-methylphenanthrene is C.CC.Cc1cc2ccccc2c2ccccc12.
What is the InChIKey of ethane;methane;9-methylphenanthrene?
The InChIKey is HZJOYEOWVADTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12.C2H6.CH4/c1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-2;/h2-10H,1H3;1-2H3;1H4.
What are the key properties of ethane;methane;9-methylphenanthrene?
ethane;methane;9-methylphenanthrene has a molecular weight of 238.37 g/mol, XLogP of 5.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;9-methylphenanthrene is sourced from PubChem (CID 169171289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).