1,3,10-trimethylphenanthrene

C17H16 — CID 12996190

IUPAC1,3,10-trimethylphenanthrene
SMILESCc1cc(C)c2c(C)cc3ccccc3c2c1
InChIInChI=1S/C17H16/c1-11-8-12(2)17-13(3)10-14-6-4-5-7-15(14)16(17)9-11/h4-10H,1-3H3
InChIKeyZXXFGQDVUYZKPL-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.92
Rot. Bonds

About 1,3,10-trimethylphenanthrene

1,3,10-trimethylphenanthrene (PubChem CID 12996190) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1,3,10-trimethylphenanthrene.

Molecular Properties

Compound Name1,3,10-trimethylphenanthrene
PubChem CID12996190
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name1,3,10-trimethylphenanthrene
SMILESCc1cc(C)c2c(C)cc3ccccc3c2c1
InChIInChI=1S/C17H16/c1-11-8-12(2)17-13(3)10-14-6-4-5-7-15(14)16(17)9-11/h4-10H,1-3H3
InChIKeyZXXFGQDVUYZKPL-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.92
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

1,3-dimethylnaphthalene;ethane
CID 145447624
5,7-dimethylphenanthro[9,10-b]quinoxaline
CID 165358551
ethane;methane;9-methylphenanthrene
CID 169171289
ethane;methane;9-methylphenanthrene
CID 144916914
ethane;9-methylphenanthrene;toluene;1,4-xylene
CID 143426197
1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
2-methylnaphtho[1,2-b]oxirene
CID 141434022
5-bromo-11-(11-bromo-6-iodo-7,9-dimethylchrysen-5-yl)-12-iodo-1,3-dimethylchrysene
CID 118312625
1,3-dimethylphenanthrene;1,5-dimethylphenanthrene;1,7-dimethylphenanthrene
CID 160604246
10-(2,4-dimethylphenyl)-1,3-dimethylanthracene
CID 44551760
2,9,10-trimethylperylene
CID 58193405
10,14-dimethyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 169260861

Frequently Asked Questions

What is the IUPAC name of 1,3,10-trimethylphenanthrene?
The IUPAC name of 1,3,10-trimethylphenanthrene (CID 12996190) is 1,3,10-trimethylphenanthrene.
What is the SMILES notation for 1,3,10-trimethylphenanthrene?
The canonical SMILES for 1,3,10-trimethylphenanthrene is Cc1cc(C)c2c(C)cc3ccccc3c2c1.
What is the InChIKey of 1,3,10-trimethylphenanthrene?
The InChIKey is ZXXFGQDVUYZKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-11-8-12(2)17-13(3)10-14-6-4-5-7-15(14)16(17)9-11/h4-10H,1-3H3.
What are the key properties of 1,3,10-trimethylphenanthrene?
1,3,10-trimethylphenanthrene has a molecular weight of 220.31 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,10-trimethylphenanthrene is sourced from PubChem (CID 12996190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).