1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate

C14H22O2 — CID 144745908

IUPAC1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
SMILESCOc1ccc(C2CCC(C)CC2)cc1.O
InChIInChI=1S/C14H20O.H2O/c1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;/h7-12H,3-6H2,1-2H3;1H2
InChIKeyICKKXHJNPHIKIY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.16
Rot. Bonds2

About 1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate

1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate (PubChem CID 144745908) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate.

Molecular Properties

Compound Name1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
PubChem CID144745908
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
SMILESCOc1ccc(C2CCC(C)CC2)cc1.O
InChIInChI=1S/C14H20O.H2O/c1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;/h7-12H,3-6H2,1-2H3;1H2
InChIKeyICKKXHJNPHIKIY-UHFFFAOYSA-N
XLogP3.16
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118595910
1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 159401504
4-(4-methoxyphenyl)-1-(4-methylcyclohexyl)piperidine
CID 175937232
5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine
CID 54233658
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 123745381
1-(cyclopropylmethoxy)-4-(4-methylcyclohexyl)benzene
CID 21137247
2-[4-(4-methoxyphenyl)cyclohexyl]ethanol
CID 121318753
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
4-(4-methylcyclohexyl)benzonitrile
CID 18464047
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate?
The IUPAC name of 1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate (CID 144745908) is 1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate.
What is the SMILES notation for 1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate?
The canonical SMILES for 1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate is COc1ccc(C2CCC(C)CC2)cc1.O.
What is the InChIKey of 1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate?
The InChIKey is ICKKXHJNPHIKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.H2O/c1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;/h7-12H,3-6H2,1-2H3;1H2.
What are the key properties of 1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate?
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate has a molecular weight of 222.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate is sourced from PubChem (CID 144745908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).