hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene

C19H23+ — CID 175255375

IUPAChydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene
SMILESCC1CCC(Cc2ccc(-c3ccccc3)cc2)C1.[H+]
InChIInChI=1S/C19H22/c1-15-7-8-17(13-15)14-16-9-11-19(12-10-16)18-5-3-2-4-6-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/p+1
InChIKeyUWGAYLQYAQMLDO-UHFFFAOYSA-O
MW251.39 g/mol
LogP5.44
Rot. Bonds3

About hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene

hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene (PubChem CID 175255375) has the molecular formula C19H23+ and a molecular weight of 251.39 g/mol. Its IUPAC name is hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene.

Molecular Properties

Compound Namehydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene
PubChem CID175255375
Molecular FormulaC19H23+
Molecular Weight251.39 g/mol
Exact Mass251.18
IUPAC Namehydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene
SMILESCC1CCC(Cc2ccc(-c3ccccc3)cc2)C1.[H+]
InChIInChI=1S/C19H22/c1-15-7-8-17(13-15)14-16-9-11-19(12-10-16)18-5-3-2-4-6-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/p+1
InChIKeyUWGAYLQYAQMLDO-UHFFFAOYSA-O
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.39
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene?
The IUPAC name of hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene (CID 175255375) is hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene.
What is the SMILES notation for hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene?
The canonical SMILES for hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene is CC1CCC(Cc2ccc(-c3ccccc3)cc2)C1.[H+].
What is the InChIKey of hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene?
The InChIKey is UWGAYLQYAQMLDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22/c1-15-7-8-17(13-15)14-16-9-11-19(12-10-16)18-5-3-2-4-6-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/p+1.
What are the key properties of hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene?
hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene has a molecular weight of 251.39 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene is sourced from PubChem (CID 175255375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).