1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene

C18H28O — CID 18597168

IUPAC1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene
SMILESCCCCC1(C)CCC(c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H28O/c1-4-5-12-18(2)13-10-16(11-14-18)15-6-8-17(19-3)9-7-15/h6-9,16H,4-5,10-14H2,1-3H3
InChIKeyYBLBFYGSMSMJRJ-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.55
Rot. Bonds5

About 1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene

1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene (PubChem CID 18597168) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene
PubChem CID18597168
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene
SMILESCCCCC1(C)CCC(c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H28O/c1-4-5-12-18(2)13-10-16(11-14-18)15-6-8-17(19-3)9-7-15/h6-9,16H,4-5,10-14H2,1-3H3
InChIKeyYBLBFYGSMSMJRJ-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
1-methoxy-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724432
6-butyl-2-(4-methoxyphenyl)spiro[3.3]heptane
CID 19387563
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
1-methoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539339
1-(4-fluoro-4-octylcyclohexyl)-4-octoxybenzene
CID 67859754
3,11-bis(4-nonoxyphenyl)dispiro[5.1.58.16]tetradecane
CID 159804370
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
1-[4-[2-(4-butyl-3,3-difluorocyclohexyl)ethyl]cyclohexyl]-4-methoxybenzene
CID 130352095
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 144714458
2-[4-(4-methoxyphenyl)cyclohexyl]ethanol
CID 121318753
1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145272

Frequently Asked Questions

What is the IUPAC name of 1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene?
The IUPAC name of 1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene (CID 18597168) is 1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene.
What is the SMILES notation for 1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene?
The canonical SMILES for 1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene is CCCCC1(C)CCC(c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene?
The InChIKey is YBLBFYGSMSMJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-4-5-12-18(2)13-10-16(11-14-18)15-6-8-17(19-3)9-7-15/h6-9,16H,4-5,10-14H2,1-3H3.
What are the key properties of 1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene?
1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene has a molecular weight of 260.42 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butyl-4-methylcyclohexyl)-4-methoxybenzene is sourced from PubChem (CID 18597168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).