7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane

C25H32 — CID 145116259

IUPAC7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane
SMILESCC(C)C(c1ccc(-c2ccccc2)cc1)C1CCC2(CCC2)CC1
InChIInChI=1S/C25H32/c1-19(2)24(23-13-17-25(18-14-23)15-6-16-25)22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12,19,23-24H,6,13-18H2,1-2H3
InChIKeyNWAJPKLFKHOTRF-UHFFFAOYSA-N
MW332.53 g/mol
LogP7.45
Rot. Bonds4

About 7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane

7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane (PubChem CID 145116259) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is 7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane.

Molecular Properties

Compound Name7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane
PubChem CID145116259
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Name7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane
SMILESCC(C)C(c1ccc(-c2ccccc2)cc1)C1CCC2(CCC2)CC1
InChIInChI=1S/C25H32/c1-19(2)24(23-13-17-25(18-14-23)15-6-16-25)22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12,19,23-24H,6,13-18H2,1-2H3
InChIKeyNWAJPKLFKHOTRF-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane?
The IUPAC name of 7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane (CID 145116259) is 7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane.
What is the SMILES notation for 7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane?
The canonical SMILES for 7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane is CC(C)C(c1ccc(-c2ccccc2)cc1)C1CCC2(CCC2)CC1.
What is the InChIKey of 7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane?
The InChIKey is NWAJPKLFKHOTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32/c1-19(2)24(23-13-17-25(18-14-23)15-6-16-25)22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12,19,23-24H,6,13-18H2,1-2H3.
What are the key properties of 7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane?
7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane has a molecular weight of 332.53 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane is sourced from PubChem (CID 145116259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).