1,3,5-tricyclohexyl-2-methoxybenzene

C25H38O — CID 123898644

IUPAC1,3,5-tricyclohexyl-2-methoxybenzene
SMILESCOc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C25H38O/c1-26-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21/h17-21H,2-16H2,1H3
InChIKeyBTIKEJLOADUGJW-UHFFFAOYSA-N
MW354.58 g/mol
LogP7.84
Rot. Bonds4

About 1,3,5-tricyclohexyl-2-methoxybenzene

1,3,5-tricyclohexyl-2-methoxybenzene (PubChem CID 123898644) has the molecular formula C25H38O and a molecular weight of 354.58 g/mol. Its IUPAC name is 1,3,5-tricyclohexyl-2-methoxybenzene.

Molecular Properties

Compound Name1,3,5-tricyclohexyl-2-methoxybenzene
PubChem CID123898644
Molecular FormulaC25H38O
Molecular Weight354.58 g/mol
Exact Mass354.29
IUPAC Name1,3,5-tricyclohexyl-2-methoxybenzene
SMILESCOc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C25H38O/c1-26-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21/h17-21H,2-16H2,1H3
InChIKeyBTIKEJLOADUGJW-UHFFFAOYSA-N
XLogP7.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,5-tricyclohexyl-2-methylperoxybenzene
CID 145144196
1,3,5-tricyclopentylbenzene
CID 611596
chloro-bis(2,4,6-tricyclohexylphenyl)phosphane
CID 102375057
ethane;hydrogen peroxide;2,4,6-tricyclohexylphenol
CID 145222874
CID 91016004
CID 91016004
CID 90770996
CID 90770996
3-cyclohexyl-5-ethyl-4-methoxybenzoic acid
CID 21199331
1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine
CID 117427939
3-bromo-5-cyclopentyl-4-methoxybenzaldehyde
CID 117454995
2-benzylperoxy-1,3,5-tricyclohexylbenzene;formaldehyde
CID 144725017
2-amino-4,6-dicyclohexylphenol
CID 139812455
2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol
CID 117425608

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tricyclohexyl-2-methoxybenzene?
The IUPAC name of 1,3,5-tricyclohexyl-2-methoxybenzene (CID 123898644) is 1,3,5-tricyclohexyl-2-methoxybenzene.
What is the SMILES notation for 1,3,5-tricyclohexyl-2-methoxybenzene?
The canonical SMILES for 1,3,5-tricyclohexyl-2-methoxybenzene is COc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.
What is the InChIKey of 1,3,5-tricyclohexyl-2-methoxybenzene?
The InChIKey is BTIKEJLOADUGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O/c1-26-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21/h17-21H,2-16H2,1H3.
What are the key properties of 1,3,5-tricyclohexyl-2-methoxybenzene?
1,3,5-tricyclohexyl-2-methoxybenzene has a molecular weight of 354.58 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tricyclohexyl-2-methoxybenzene is sourced from PubChem (CID 123898644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).