1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene

C15H22O2 — CID 124645669

IUPAC1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene
SMILESCOc1cc(OC)cc([C@@H]2CCCC[C@H]2C)c1
InChIInChI=1S/C15H22O2/c1-11-6-4-5-7-15(11)12-8-13(16-2)10-14(9-12)17-3/h8-11,15H,4-7H2,1-3H3/t11-,15-/m1/s1
InChIKeyHNDQRSXEPXHHQD-IAQYHMDHSA-N
MW234.34 g/mol
LogP4.00
Rot. Bonds3

About 1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene

1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene (PubChem CID 124645669) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene
PubChem CID124645669
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene
SMILESCOc1cc(OC)cc([C@@H]2CCCC[C@H]2C)c1
InChIInChI=1S/C15H22O2/c1-11-6-4-5-7-15(11)12-8-13(16-2)10-14(9-12)17-3/h8-11,15H,4-7H2,1-3H3/t11-,15-/m1/s1
InChIKeyHNDQRSXEPXHHQD-IAQYHMDHSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol
CID 124645673
cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 6962836
trans-(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299452
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate
CID 71323182
3-methyl-5-[(1S,2R)-2-methylcyclohexyl]aniline
CID 125449769
methyl 3-fluoro-5-[(1S,2S)-2-methylcyclohexyl]benzoate
CID 58617168
(1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079111
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
(1S)-1-[(1R,2R)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552588
4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine
CID 82617230
(1R)-1-[(1S,2R)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124669183

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene?
The IUPAC name of 1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene (CID 124645669) is 1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene.
What is the SMILES notation for 1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene?
The canonical SMILES for 1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene is COc1cc(OC)cc([C@@H]2CCCC[C@H]2C)c1.
What is the InChIKey of 1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene?
The InChIKey is HNDQRSXEPXHHQD-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-6-4-5-7-15(11)12-8-13(16-2)10-14(9-12)17-3/h8-11,15H,4-7H2,1-3H3/t11-,15-/m1/s1.
What are the key properties of 1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene?
1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene has a molecular weight of 234.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene is sourced from PubChem (CID 124645669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).