1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene

C16H24O2 — CID 70921631

IUPAC1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
SMILESCOc1ccc(CC2(OC)CCC(C)CC2)cc1
InChIInChI=1S/C16H24O2/c1-13-8-10-16(18-3,11-9-13)12-14-4-6-15(17-2)7-5-14/h4-7,13H,8-12H2,1-3H3
InChIKeyPFNWWMZCAWPYDV-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.83
Rot. Bonds4

About 1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene

1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene (PubChem CID 70921631) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
PubChem CID70921631
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
SMILESCOc1ccc(CC2(OC)CCC(C)CC2)cc1
InChIInChI=1S/C16H24O2/c1-13-8-10-16(18-3,11-9-13)12-14-4-6-15(17-2)7-5-14/h4-7,13H,8-12H2,1-3H3
InChIKeyPFNWWMZCAWPYDV-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 70967394
[1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine
CID 65430450
1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 65029969
6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331242
(1S,6R)-1-[(4-methoxyphenyl)methyl]-3-methylbicyclo[4.1.0]heptane
CID 177443332
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
3-[(4-methoxyphenyl)methyl]-2,3-dimethyloxetane
CID 175415747
1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 62006924
1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol
CID 65444720
1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118595910
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene?
The IUPAC name of 1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene (CID 70921631) is 1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene?
The canonical SMILES for 1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene is COc1ccc(CC2(OC)CCC(C)CC2)cc1.
What is the InChIKey of 1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene?
The InChIKey is PFNWWMZCAWPYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-13-8-10-16(18-3,11-9-13)12-14-4-6-15(17-2)7-5-14/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene?
1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene has a molecular weight of 248.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene is sourced from PubChem (CID 70921631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).