2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene

C27H36 — CID 140874285

IUPAC2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1-c1ccccc1C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H36/c1-20-12-11-13-21(2)26(20)24-18-9-10-19-25(24)27(22-14-5-3-6-15-22)23-16-7-4-8-17-23/h9-13,18-19,22-23,27H,3-8,14-17H2,1-2H3
InChIKeyPLVYPGWQKMKCLF-UHFFFAOYSA-N
MW360.59 g/mol
LogP8.21
Rot. Bonds4

About 2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene

2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene (PubChem CID 140874285) has the molecular formula C27H36 and a molecular weight of 360.59 g/mol. Its IUPAC name is 2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene
PubChem CID140874285
Molecular FormulaC27H36
Molecular Weight360.59 g/mol
Exact Mass360.28
IUPAC Name2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1-c1ccccc1C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H36/c1-20-12-11-13-21(2)26(20)24-18-9-10-19-25(24)27(22-14-5-3-6-15-22)23-16-7-4-8-17-23/h9-13,18-19,22-23,27H,3-8,14-17H2,1-2H3
InChIKeyPLVYPGWQKMKCLF-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene (CID 140874285) is 2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene is Cc1cccc(C)c1-c1ccccc1C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene?
The InChIKey is PLVYPGWQKMKCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36/c1-20-12-11-13-21(2)26(20)24-18-9-10-19-25(24)27(22-14-5-3-6-15-22)23-16-7-4-8-17-23/h9-13,18-19,22-23,27H,3-8,14-17H2,1-2H3.
What are the key properties of 2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene?
2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene has a molecular weight of 360.59 g/mol, XLogP of 8.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dicyclohexylmethyl)phenyl]-1,3-dimethylbenzene is sourced from PubChem (CID 140874285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).