1,2,3-tricyclohexyl-4-methylbenzene

C25H38 — CID 173149758

IUPAC1,2,3-tricyclohexyl-4-methylbenzene
SMILESCc1ccc(C2CCCCC2)c(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C25H38/c1-19-17-18-23(20-11-5-2-6-12-20)25(22-15-9-4-10-16-22)24(19)21-13-7-3-8-14-21/h17-18,20-22H,2-16H2,1H3
InChIKeyOHGKNADNTGXZBX-UHFFFAOYSA-N
MW338.58 g/mol
LogP8.14
Rot. Bonds3

About 1,2,3-tricyclohexyl-4-methylbenzene

1,2,3-tricyclohexyl-4-methylbenzene (PubChem CID 173149758) has the molecular formula C25H38 and a molecular weight of 338.58 g/mol. Its IUPAC name is 1,2,3-tricyclohexyl-4-methylbenzene.

Molecular Properties

Compound Name1,2,3-tricyclohexyl-4-methylbenzene
PubChem CID173149758
Molecular FormulaC25H38
Molecular Weight338.58 g/mol
Exact Mass338.30
IUPAC Name1,2,3-tricyclohexyl-4-methylbenzene
SMILESCc1ccc(C2CCCCC2)c(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C25H38/c1-19-17-18-23(20-11-5-2-6-12-20)25(22-15-9-4-10-16-22)24(19)21-13-7-3-8-14-21/h17-18,20-22H,2-16H2,1H3
InChIKeyOHGKNADNTGXZBX-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-dicyclohexyl-3-methylphenol
CID 3022567
3-cyclohexyl-6-methylbenzene-1,2-diol
CID 150190518
3-cyclohexyl-1,2-difluoro-4-methylbenzene
CID 131994497
(2,3-dimethylphenyl)cyclodecane
CID 21161883
2,3-dicyclohexyl-N,N-dimethylaniline
CID 175316009
2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
CID 143471865
(2-cyclohexyl-3-cyclopentylphenyl)boronic acid
CID 156779684
2,3-dicyclohexylbenzenethiol
CID 22497850
CID 173153342
CID 173153342
2,3,4-tricyclopentylbenzaldehyde
CID 87124420
(2,4,6-trimethylphenyl)cyclododecane
CID 123823481
cyclohexyl 2,3-dicyclohexyl-4-methylbenzenesulfonate
CID 174506930

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tricyclohexyl-4-methylbenzene?
The IUPAC name of 1,2,3-tricyclohexyl-4-methylbenzene (CID 173149758) is 1,2,3-tricyclohexyl-4-methylbenzene.
What is the SMILES notation for 1,2,3-tricyclohexyl-4-methylbenzene?
The canonical SMILES for 1,2,3-tricyclohexyl-4-methylbenzene is Cc1ccc(C2CCCCC2)c(C2CCCCC2)c1C1CCCCC1.
What is the InChIKey of 1,2,3-tricyclohexyl-4-methylbenzene?
The InChIKey is OHGKNADNTGXZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38/c1-19-17-18-23(20-11-5-2-6-12-20)25(22-15-9-4-10-16-22)24(19)21-13-7-3-8-14-21/h17-18,20-22H,2-16H2,1H3.
What are the key properties of 1,2,3-tricyclohexyl-4-methylbenzene?
1,2,3-tricyclohexyl-4-methylbenzene has a molecular weight of 338.58 g/mol, XLogP of 8.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tricyclohexyl-4-methylbenzene is sourced from PubChem (CID 173149758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).