cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol

C15H21FO2 — CID 115829463

IUPACcycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)C2CCCCCC2)ccc1F
InChIInChI=1S/C15H21FO2/c1-18-14-10-12(8-9-13(14)16)15(17)11-6-4-2-3-5-7-11/h8-11,15,17H,2-7H2,1H3
InChIKeyMIHDUZFEOWJIFV-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.84
Rot. Bonds3

About cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol

cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol (PubChem CID 115829463) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Namecycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
PubChem CID115829463
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Namecycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)C2CCCCCC2)ccc1F
InChIInChI=1S/C15H21FO2/c1-18-14-10-12(8-9-13(14)16)15(17)11-6-4-2-3-5-7-11/h8-11,15,17H,2-7H2,1H3
InChIKeyMIHDUZFEOWJIFV-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
(1S,2R)-2-amino-1-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)ethanol;hydrochloride
CID 171159905
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105
cyclohexyl-(3,4,5-trimethoxyphenyl)methanol
CID 63895814
(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83059190
N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 114981149
[2-cyclopentyl-1-(4-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105299048
N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol (CID 115829463) is cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol is COc1cc(C(O)C2CCCCCC2)ccc1F.
What is the InChIKey of cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol?
The InChIKey is MIHDUZFEOWJIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-18-14-10-12(8-9-13(14)16)15(17)11-6-4-2-3-5-7-11/h8-11,15,17H,2-7H2,1H3.
What are the key properties of cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol?
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol has a molecular weight of 252.33 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 115829463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).