1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene

C20H24O2 — CID 101244821

IUPAC1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
SMILESCOc1ccc(C2CCCCC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24O2/c1-21-17-11-7-15(8-12-17)19-5-3-4-6-20(19)16-9-13-18(22-2)14-10-16/h7-14,19-20H,3-6H2,1-2H3
InChIKeyCCAIDHSTMGOOJZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.15
Rot. Bonds4

About 1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene

1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene (PubChem CID 101244821) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
PubChem CID101244821
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
SMILESCOc1ccc(C2CCCCC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24O2/c1-21-17-11-7-15(8-12-17)19-5-3-4-6-20(19)16-9-13-18(22-2)14-10-16/h7-14,19-20H,3-6H2,1-2H3
InChIKeyCCAIDHSTMGOOJZ-UHFFFAOYSA-N
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
CID 82242717
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 82244560
2-[4-(4-methoxyphenyl)phenyl]cyclopentan-1-amine
CID 69111845
1-(2-chlorocyclopropyl)-4-methoxybenzene
CID 53421606
N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline
CID 135074114
2-cyclopentyl-6-methoxynaphthalene
CID 67100251
2-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]sulfanylacetic acid
CID 125464157
cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 162294814
(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
CID 101158229

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene?
The IUPAC name of 1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene (CID 101244821) is 1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene?
The canonical SMILES for 1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene is COc1ccc(C2CCCCC2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene?
The InChIKey is CCAIDHSTMGOOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-21-17-11-7-15(8-12-17)19-5-3-4-6-20(19)16-9-13-18(22-2)14-10-16/h7-14,19-20H,3-6H2,1-2H3.
What are the key properties of 1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene?
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene has a molecular weight of 296.41 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene is sourced from PubChem (CID 101244821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).