1-methyl-7-propan-2-ylphenanthrene

C18H18 — CID 10222

IUPAC1-methyl-7-propan-2-ylphenanthrene
SMILESCc1cccc2c1ccc1cc(C(C)C)ccc12
InChIInChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3
InChIKeyNXLOLUFNDSBYTP-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.42
Rot. Bonds1

About 1-methyl-7-propan-2-ylphenanthrene

1-methyl-7-propan-2-ylphenanthrene (PubChem CID 10222) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-methyl-7-propan-2-ylphenanthrene.

Molecular Properties

Compound Name1-methyl-7-propan-2-ylphenanthrene
PubChem CID10222
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1-methyl-7-propan-2-ylphenanthrene
SMILESCc1cccc2c1ccc1cc(C(C)C)ccc12
InChIInChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3
InChIKeyNXLOLUFNDSBYTP-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 1-methyl-7-propan-2-ylphenanthrene?
The IUPAC name of 1-methyl-7-propan-2-ylphenanthrene (CID 10222) is 1-methyl-7-propan-2-ylphenanthrene.
What is the SMILES notation for 1-methyl-7-propan-2-ylphenanthrene?
The canonical SMILES for 1-methyl-7-propan-2-ylphenanthrene is Cc1cccc2c1ccc1cc(C(C)C)ccc12.
What is the InChIKey of 1-methyl-7-propan-2-ylphenanthrene?
The InChIKey is NXLOLUFNDSBYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3.
What are the key properties of 1-methyl-7-propan-2-ylphenanthrene?
1-methyl-7-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 1-methyl-7-propan-2-ylphenanthrene is sourced from PubChem (CID 10222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).