2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol

C15H21FO2 — CID 113453825

IUPAC2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol
SMILESCOc1cccc(CC2CC(C)CCC2O)c1F
InChIInChI=1S/C15H21FO2/c1-10-6-7-13(17)12(8-10)9-11-4-3-5-14(18-2)15(11)16/h3-5,10,12-13,17H,6-9H2,1-2H3
InChIKeyYBLUYQBMIILAIA-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.17
Rot. Bonds3

About 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol

2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol (PubChem CID 113453825) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol
PubChem CID113453825
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol
SMILESCOc1cccc(CC2CC(C)CCC2O)c1F
InChIInChI=1S/C15H21FO2/c1-10-6-7-13(17)12(8-10)9-11-4-3-5-14(18-2)15(11)16/h3-5,10,12-13,17H,6-9H2,1-2H3
InChIKeyYBLUYQBMIILAIA-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 113453828
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795133
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine
CID 82810757
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol
CID 104793177
2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-ol
CID 104794422
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 104795136
N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795135
N-[[2-[(2-fluoro-3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104795707
1-[2-(2-chloro-4-methylcyclohexyl)-2-methylpropyl]-2-fluoro-3-methoxybenzene
CID 104795179
3-bromo-4-[(2-fluoro-3-methoxyphenyl)methyl]thiolane
CID 104794463
3-chloro-4-[(2-fluoro-3-methoxyphenyl)methyl]thiolane
CID 104794462

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol (CID 113453825) is 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol is COc1cccc(CC2CC(C)CCC2O)c1F.
What is the InChIKey of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is YBLUYQBMIILAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-10-6-7-13(17)12(8-10)9-11-4-3-5-14(18-2)15(11)16/h3-5,10,12-13,17H,6-9H2,1-2H3.
What are the key properties of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol?
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 113453825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).