9,10-dimethyl-2-propan-2-ylphenanthrene

C19H20 — CID 140734876

IUPAC9,10-dimethyl-2-propan-2-ylphenanthrene
SMILESCc1c(C)c2cc(C(C)C)ccc2c2ccccc12
InChIInChI=1S/C19H20/c1-12(2)15-9-10-18-17-8-6-5-7-16(17)13(3)14(4)19(18)11-15/h5-12H,1-4H3
InChIKeyQGKPNTVVCVZNNL-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.73
Rot. Bonds1

About 9,10-dimethyl-2-propan-2-ylphenanthrene

9,10-dimethyl-2-propan-2-ylphenanthrene (PubChem CID 140734876) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 9,10-dimethyl-2-propan-2-ylphenanthrene.

Molecular Properties

Compound Name9,10-dimethyl-2-propan-2-ylphenanthrene
PubChem CID140734876
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name9,10-dimethyl-2-propan-2-ylphenanthrene
SMILESCc1c(C)c2cc(C(C)C)ccc2c2ccccc12
InChIInChI=1S/C19H20/c1-12(2)15-9-10-18-17-8-6-5-7-16(17)13(3)14(4)19(18)11-15/h5-12H,1-4H3
InChIKeyQGKPNTVVCVZNNL-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.73
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 9,10-dimethyl-2-propan-2-ylphenanthrene?
The IUPAC name of 9,10-dimethyl-2-propan-2-ylphenanthrene (CID 140734876) is 9,10-dimethyl-2-propan-2-ylphenanthrene.
What is the SMILES notation for 9,10-dimethyl-2-propan-2-ylphenanthrene?
The canonical SMILES for 9,10-dimethyl-2-propan-2-ylphenanthrene is Cc1c(C)c2cc(C(C)C)ccc2c2ccccc12.
What is the InChIKey of 9,10-dimethyl-2-propan-2-ylphenanthrene?
The InChIKey is QGKPNTVVCVZNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-12(2)15-9-10-18-17-8-6-5-7-16(17)13(3)14(4)19(18)11-15/h5-12H,1-4H3.
What are the key properties of 9,10-dimethyl-2-propan-2-ylphenanthrene?
9,10-dimethyl-2-propan-2-ylphenanthrene has a molecular weight of 248.37 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-2-propan-2-ylphenanthrene is sourced from PubChem (CID 140734876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).