10-methyl-2-propan-2-ylphenanthrene

C18H18 — CID 613068

IUPAC10-methyl-2-propan-2-ylphenanthrene
SMILESCc1cc2ccccc2c2ccc(C(C)C)cc12
InChIInChI=1S/C18H18/c1-12(2)14-8-9-17-16-7-5-4-6-15(16)10-13(3)18(17)11-14/h4-12H,1-3H3
InChIKeyVNYQWKJAFNCEBZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.42
Rot. Bonds1

About 10-methyl-2-propan-2-ylphenanthrene

10-methyl-2-propan-2-ylphenanthrene (PubChem CID 613068) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 10-methyl-2-propan-2-ylphenanthrene.

Molecular Properties

Compound Name10-methyl-2-propan-2-ylphenanthrene
PubChem CID613068
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name10-methyl-2-propan-2-ylphenanthrene
SMILESCc1cc2ccccc2c2ccc(C(C)C)cc12
InChIInChI=1S/C18H18/c1-12(2)14-8-9-17-16-7-5-4-6-15(16)10-13(3)18(17)11-14/h4-12H,1-3H3
InChIKeyVNYQWKJAFNCEBZ-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.42
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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Frequently Asked Questions

What is the IUPAC name of 10-methyl-2-propan-2-ylphenanthrene?
The IUPAC name of 10-methyl-2-propan-2-ylphenanthrene (CID 613068) is 10-methyl-2-propan-2-ylphenanthrene.
What is the SMILES notation for 10-methyl-2-propan-2-ylphenanthrene?
The canonical SMILES for 10-methyl-2-propan-2-ylphenanthrene is Cc1cc2ccccc2c2ccc(C(C)C)cc12.
What is the InChIKey of 10-methyl-2-propan-2-ylphenanthrene?
The InChIKey is VNYQWKJAFNCEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-12(2)14-8-9-17-16-7-5-4-6-15(16)10-13(3)18(17)11-14/h4-12H,1-3H3.
What are the key properties of 10-methyl-2-propan-2-ylphenanthrene?
10-methyl-2-propan-2-ylphenanthrene has a molecular weight of 234.34 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2-propan-2-ylphenanthrene is sourced from PubChem (CID 613068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).