9-methylanthracene;2-methylnaphthalene

C26H22 — CID 159699144

IUPAC9-methylanthracene;2-methylnaphthalene
SMILESCc1c2ccccc2cc2ccccc12.Cc1ccc2ccccc2c1
InChIInChI=1S/C15H12.C11H10/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-9-6-7-10-4-2-3-5-11(10)8-9/h2-10H,1H3;2-8H,1H3
InChIKeyMXJZJGZJGWXSDG-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.45
Rot. Bonds

About 9-methylanthracene;2-methylnaphthalene

9-methylanthracene;2-methylnaphthalene (PubChem CID 159699144) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 9-methylanthracene;2-methylnaphthalene.

Molecular Properties

Compound Name9-methylanthracene;2-methylnaphthalene
PubChem CID159699144
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name9-methylanthracene;2-methylnaphthalene
SMILESCc1c2ccccc2cc2ccccc12.Cc1ccc2ccccc2c1
InChIInChI=1S/C15H12.C11H10/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-9-6-7-10-4-2-3-5-11(10)8-9/h2-10H,1H3;2-8H,1H3
InChIKeyMXJZJGZJGWXSDG-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)
CID 159448602
9-methylanthracene;naphthalene
CID 142881908
33-methyloctacyclo[26.2.2.22,5.26,9.210,13.214,17.118,22.123,27]dotetraconta-1(30),2(42),3,5(41),6(40),7,9(39),10(38),11,13(37),14(36),15,17(35),18(34),19,21,23,25,27(33),28,31-henicosaene
CID 153310612
ethane;9-methylanthracene;naphthalene
CID 161226057
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2,10-dimethylanthracene;formaldehyde
CID 169199000
2-methylnaphthalene chloride
CID 21193556
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
benzene;2-methylnaphthalene
CID 159438891
2-methylnaphthalene;dihydrate
CID 174912803
lithium;hydride;2-methylnaphthalene
CID 175090071
lithium;hydride;9-methylanthracene
CID 174773747

Frequently Asked Questions

What is the IUPAC name of 9-methylanthracene;2-methylnaphthalene?
The IUPAC name of 9-methylanthracene;2-methylnaphthalene (CID 159699144) is 9-methylanthracene;2-methylnaphthalene.
What is the SMILES notation for 9-methylanthracene;2-methylnaphthalene?
The canonical SMILES for 9-methylanthracene;2-methylnaphthalene is Cc1c2ccccc2cc2ccccc12.Cc1ccc2ccccc2c1.
What is the InChIKey of 9-methylanthracene;2-methylnaphthalene?
The InChIKey is MXJZJGZJGWXSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12.C11H10/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-9-6-7-10-4-2-3-5-11(10)8-9/h2-10H,1H3;2-8H,1H3.
What are the key properties of 9-methylanthracene;2-methylnaphthalene?
9-methylanthracene;2-methylnaphthalene has a molecular weight of 334.46 g/mol, XLogP of 7.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylanthracene;2-methylnaphthalene is sourced from PubChem (CID 159699144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).