1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene

C19H30O2 — CID 59545688

IUPAC1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene
SMILESCOc1ccc(CCCCC2CCC(C)CC2)cc1OC
InChIInChI=1S/C19H30O2/c1-15-8-10-16(11-9-15)6-4-5-7-17-12-13-18(20-2)19(14-17)21-3/h12-16H,4-11H2,1-3H3
InChIKeyJMSQBMHDASZOLL-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.24
Rot. Bonds7

About 1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene

1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene (PubChem CID 59545688) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene
PubChem CID59545688
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene
SMILESCOc1ccc(CCCCC2CCC(C)CC2)cc1OC
InChIInChI=1S/C19H30O2/c1-15-8-10-16(11-9-15)6-4-5-7-17-12-13-18(20-2)19(14-17)21-3/h12-16H,4-11H2,1-3H3
InChIKeyJMSQBMHDASZOLL-UHFFFAOYSA-N
XLogP5.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115639482
9-[3-(3,4-dimethoxyphenyl)propyl]-9-borabicyclo[3.3.1]nonane
CID 14172418
1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene
CID 54167085
1-methoxy-2-pentyl-4-[4-[4-[4-[4-[(E)-prop-1-enyl]phenyl]butyl]cyclohexyl]butyl]benzene
CID 67677379
1-methoxy-2-pentyl-4-[4-[4-[4-(4-prop-1-enylphenyl)butyl]cyclohexyl]butyl]benzene
CID 54099908
2-(3-cyclopropylpropyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111816678
4-(4-iodobutyl)-1,2-dimethoxybenzene
CID 86035361
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
2-[3-(4-methylcyclohexyl)propyl]naphthalene
CID 59545635
4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene
CID 144669521
1-methoxy-4-[2-[4-[4-(4-pent-3-enylphenyl)butyl]cyclohexyl]ethyl]-2-pentylbenzene
CID 54482607
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene (CID 59545688) is 1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene is COc1ccc(CCCCC2CCC(C)CC2)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene?
The InChIKey is JMSQBMHDASZOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-15-8-10-16(11-9-15)6-4-5-7-17-12-13-18(20-2)19(14-17)21-3/h12-16H,4-11H2,1-3H3.
What are the key properties of 1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene?
1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene has a molecular weight of 290.45 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene is sourced from PubChem (CID 59545688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).