(2,2,4-trimethyl-3-phenylcyclobutyl)benzene

C19H22 — CID 175871600

IUPAC(2,2,4-trimethyl-3-phenylcyclobutyl)benzene
SMILESCC1C(c2ccccc2)C(C)(C)C1c1ccccc1
InChIInChI=1S/C19H22/c1-14-17(15-10-6-4-7-11-15)19(2,3)18(14)16-12-8-5-9-13-16/h4-14,17-18H,1-3H3
InChIKeyDRFVZGVGIWMKAS-UHFFFAOYSA-N
MW250.39 g/mol
LogP5.23
Rot. Bonds2

About (2,2,4-trimethyl-3-phenylcyclobutyl)benzene

(2,2,4-trimethyl-3-phenylcyclobutyl)benzene (PubChem CID 175871600) has the molecular formula C19H22 and a molecular weight of 250.39 g/mol. Its IUPAC name is (2,2,4-trimethyl-3-phenylcyclobutyl)benzene.

Molecular Properties

Compound Name(2,2,4-trimethyl-3-phenylcyclobutyl)benzene
PubChem CID175871600
Molecular FormulaC19H22
Molecular Weight250.39 g/mol
Exact Mass250.17
IUPAC Name(2,2,4-trimethyl-3-phenylcyclobutyl)benzene
SMILESCC1C(c2ccccc2)C(C)(C)C1c1ccccc1
InChIInChI=1S/C19H22/c1-14-17(15-10-6-4-7-11-15)19(2,3)18(14)16-12-8-5-9-13-16/h4-14,17-18H,1-3H3
InChIKeyDRFVZGVGIWMKAS-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.39
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2,2,4-trimethyl-3-phenylcyclobutyl)benzene?
The IUPAC name of (2,2,4-trimethyl-3-phenylcyclobutyl)benzene (CID 175871600) is (2,2,4-trimethyl-3-phenylcyclobutyl)benzene.
What is the SMILES notation for (2,2,4-trimethyl-3-phenylcyclobutyl)benzene?
The canonical SMILES for (2,2,4-trimethyl-3-phenylcyclobutyl)benzene is CC1C(c2ccccc2)C(C)(C)C1c1ccccc1.
What is the InChIKey of (2,2,4-trimethyl-3-phenylcyclobutyl)benzene?
The InChIKey is DRFVZGVGIWMKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-14-17(15-10-6-4-7-11-15)19(2,3)18(14)16-12-8-5-9-13-16/h4-14,17-18H,1-3H3.
What are the key properties of (2,2,4-trimethyl-3-phenylcyclobutyl)benzene?
(2,2,4-trimethyl-3-phenylcyclobutyl)benzene has a molecular weight of 250.39 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,4-trimethyl-3-phenylcyclobutyl)benzene is sourced from PubChem (CID 175871600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).