1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene

C15H22O — CID 70967395

IUPAC1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
SMILESCOc1cccc(CC2CCC(C)CC2)c1
InChIInChI=1S/C15H22O/c1-12-6-8-13(9-7-12)10-14-4-3-5-15(11-14)16-2/h3-5,11-13H,6-10H2,1-2H3
InChIKeyNEDRBGTWOMFXDI-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.06
Rot. Bonds3

About 1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene

1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene (PubChem CID 70967395) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
PubChem CID70967395
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
SMILESCOc1cccc(CC2CCC(C)CC2)c1
InChIInChI=1S/C15H22O/c1-12-6-8-13(9-7-12)10-14-4-3-5-15(11-14)16-2/h3-5,11-13H,6-10H2,1-2H3
InChIKeyNEDRBGTWOMFXDI-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
1-chloro-3-[(3-methoxyphenyl)methyl]cycloheptane
CID 64509318
3-[(3-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 64909880
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133464861
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine
CID 117270683
2-(3-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400147
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
CID 123940135
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene?
The IUPAC name of 1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene (CID 70967395) is 1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene?
The canonical SMILES for 1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene is COc1cccc(CC2CCC(C)CC2)c1.
What is the InChIKey of 1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene?
The InChIKey is NEDRBGTWOMFXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-12-6-8-13(9-7-12)10-14-4-3-5-15(11-14)16-2/h3-5,11-13H,6-10H2,1-2H3.
What are the key properties of 1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene?
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene has a molecular weight of 218.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene is sourced from PubChem (CID 70967395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).