(1,2,2-trimethyl-3-phenylcyclobutyl)benzene

C19H22 — CID 175871621

IUPAC(1,2,2-trimethyl-3-phenylcyclobutyl)benzene
SMILESCC1(c2ccccc2)CC(c2ccccc2)C1(C)C
InChIInChI=1S/C19H22/c1-18(2)17(15-10-6-4-7-11-15)14-19(18,3)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyRFBKYDKOXDEWGH-UHFFFAOYSA-N
MW250.39 g/mol
LogP5.16
Rot. Bonds2

About (1,2,2-trimethyl-3-phenylcyclobutyl)benzene

(1,2,2-trimethyl-3-phenylcyclobutyl)benzene (PubChem CID 175871621) has the molecular formula C19H22 and a molecular weight of 250.39 g/mol. Its IUPAC name is (1,2,2-trimethyl-3-phenylcyclobutyl)benzene.

Molecular Properties

Compound Name(1,2,2-trimethyl-3-phenylcyclobutyl)benzene
PubChem CID175871621
Molecular FormulaC19H22
Molecular Weight250.39 g/mol
Exact Mass250.17
IUPAC Name(1,2,2-trimethyl-3-phenylcyclobutyl)benzene
SMILESCC1(c2ccccc2)CC(c2ccccc2)C1(C)C
InChIInChI=1S/C19H22/c1-18(2)17(15-10-6-4-7-11-15)14-19(18,3)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyRFBKYDKOXDEWGH-UHFFFAOYSA-N
XLogP5.16
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 ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Cumene
CID 7406
Tert-Butylbenzene
CID 7366
4-tert-Butyltoluene
CID 7390
4-Methylbiphenyl
CID 12566
Curcumene
CID 92139
Diphenylmethane
CID 7580
Dibenzyl
CID 7647
1,3-Diisopropylbenzene
CID 7450
Sec-Butylbenzene
CID 8680
Bis(1-methylethyl)benzene
CID 11345
Pentadecylbenzene
CID 16476

Frequently Asked Questions

What is the IUPAC name of (1,2,2-trimethyl-3-phenylcyclobutyl)benzene?
The IUPAC name of (1,2,2-trimethyl-3-phenylcyclobutyl)benzene (CID 175871621) is (1,2,2-trimethyl-3-phenylcyclobutyl)benzene.
What is the SMILES notation for (1,2,2-trimethyl-3-phenylcyclobutyl)benzene?
The canonical SMILES for (1,2,2-trimethyl-3-phenylcyclobutyl)benzene is CC1(c2ccccc2)CC(c2ccccc2)C1(C)C.
What is the InChIKey of (1,2,2-trimethyl-3-phenylcyclobutyl)benzene?
The InChIKey is RFBKYDKOXDEWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-18(2)17(15-10-6-4-7-11-15)14-19(18,3)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3.
What are the key properties of (1,2,2-trimethyl-3-phenylcyclobutyl)benzene?
(1,2,2-trimethyl-3-phenylcyclobutyl)benzene has a molecular weight of 250.39 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2-trimethyl-3-phenylcyclobutyl)benzene is sourced from PubChem (CID 175871621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).