(4-methoxy-2,4-dimethylcyclohexyl)benzene

C15H22O — CID 175510326

IUPAC(4-methoxy-2,4-dimethylcyclohexyl)benzene
SMILESCOC1(C)CCC(c2ccccc2)C(C)C1
InChIInChI=1S/C15H22O/c1-12-11-15(2,16-3)10-9-14(12)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3
InChIKeyZAMQFMUWZZXFOJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.00
Rot. Bonds2

About (4-methoxy-2,4-dimethylcyclohexyl)benzene

(4-methoxy-2,4-dimethylcyclohexyl)benzene (PubChem CID 175510326) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (4-methoxy-2,4-dimethylcyclohexyl)benzene.

Molecular Properties

Compound Name(4-methoxy-2,4-dimethylcyclohexyl)benzene
PubChem CID175510326
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(4-methoxy-2,4-dimethylcyclohexyl)benzene
SMILESCOC1(C)CCC(c2ccccc2)C(C)C1
InChIInChI=1S/C15H22O/c1-12-11-15(2,16-3)10-9-14(12)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3
InChIKeyZAMQFMUWZZXFOJ-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid
CID 118911768
(2-methylcyclopentyl)benzene
CID 12600454
cis-methyl (1R,2S)-5,5-difluoro-2-phenylcyclohexane-1-carboxylate
CID 156900270
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
3-hydroxy-1-methyl-4-phenylcyclohexane-1-carbaldehyde
CID 174740650
[(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene
CID 102136520
(4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane
CID 14972315
carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
CID 123742009
(4R)-3-methyl-4-phenylpiperidine
CID 142163683
cis-dimethyl (3S,4S)-3-(hydroxymethyl)-4-phenylcyclohexane-1,1-dicarboxylate
CID 102084735
(2-fluoro-2-methoxycyclopropyl)benzene
CID 174280864

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,4-dimethylcyclohexyl)benzene?
The IUPAC name of (4-methoxy-2,4-dimethylcyclohexyl)benzene (CID 175510326) is (4-methoxy-2,4-dimethylcyclohexyl)benzene.
What is the SMILES notation for (4-methoxy-2,4-dimethylcyclohexyl)benzene?
The canonical SMILES for (4-methoxy-2,4-dimethylcyclohexyl)benzene is COC1(C)CCC(c2ccccc2)C(C)C1.
What is the InChIKey of (4-methoxy-2,4-dimethylcyclohexyl)benzene?
The InChIKey is ZAMQFMUWZZXFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-12-11-15(2,16-3)10-9-14(12)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3.
What are the key properties of (4-methoxy-2,4-dimethylcyclohexyl)benzene?
(4-methoxy-2,4-dimethylcyclohexyl)benzene has a molecular weight of 218.34 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,4-dimethylcyclohexyl)benzene is sourced from PubChem (CID 175510326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).