[2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone

C28H38O — CID 58367680

IUPAC[2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone
SMILESCC1CCC(CCc2ccc(C(C)(C)C)c(C(=O)c3ccccc3C(C)C)c2)C1
InChIInChI=1S/C28H38O/c1-19(2)23-9-7-8-10-24(23)27(29)25-18-22(15-16-26(25)28(4,5)6)14-13-21-12-11-20(3)17-21/h7-10,15-16,18-21H,11-14,17H2,1-6H3
InChIKeyRVPAPKONRDPRDS-UHFFFAOYSA-N
MW390.61 g/mol
LogP7.71
Rot. Bonds6

About [2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone

[2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone (PubChem CID 58367680) has the molecular formula C28H38O and a molecular weight of 390.61 g/mol. Its IUPAC name is [2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone
PubChem CID58367680
Molecular FormulaC28H38O
Molecular Weight390.61 g/mol
Exact Mass390.29
IUPAC Name[2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone
SMILESCC1CCC(CCc2ccc(C(C)(C)C)c(C(=O)c3ccccc3C(C)C)c2)C1
InChIInChI=1S/C28H38O/c1-19(2)23-9-7-8-10-24(23)27(29)25-18-22(15-16-26(25)28(4,5)6)14-13-21-12-11-20(3)17-21/h7-10,15-16,18-21H,11-14,17H2,1-6H3
InChIKeyRVPAPKONRDPRDS-UHFFFAOYSA-N
XLogP7.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone?
The IUPAC name of [2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone (CID 58367680) is [2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone.
What is the SMILES notation for [2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone?
The canonical SMILES for [2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone is CC1CCC(CCc2ccc(C(C)(C)C)c(C(=O)c3ccccc3C(C)C)c2)C1.
What is the InChIKey of [2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone?
The InChIKey is RVPAPKONRDPRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O/c1-19(2)23-9-7-8-10-24(23)27(29)25-18-22(15-16-26(25)28(4,5)6)14-13-21-12-11-20(3)17-21/h7-10,15-16,18-21H,11-14,17H2,1-6H3.
What are the key properties of [2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone?
[2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone has a molecular weight of 390.61 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-5-[2-(3-methylcyclopentyl)ethyl]phenyl]-(2-propan-2-ylphenyl)methanone is sourced from PubChem (CID 58367680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).