1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol

C15H20BrFO2 — CID 103452055

IUPAC1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
SMILESOC(Cc1cccc(F)c1Br)C1(O)CCCCCC1
InChIInChI=1S/C15H20BrFO2/c16-14-11(6-5-7-12(14)17)10-13(18)15(19)8-3-1-2-4-9-15/h5-7,13,18-19H,1-4,8-10H2
InChIKeyVHSNRTVLAMAIKA-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.58
Rot. Bonds3

About 1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol

1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol (PubChem CID 103452055) has the molecular formula C15H20BrFO2 and a molecular weight of 331.23 g/mol. Its IUPAC name is 1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
PubChem CID103452055
Molecular FormulaC15H20BrFO2
Molecular Weight331.23 g/mol
Exact Mass330.06
IUPAC Name1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
SMILESOC(Cc1cccc(F)c1Br)C1(O)CCCCCC1
InChIInChI=1S/C15H20BrFO2/c16-14-11(6-5-7-12(14)17)10-13(18)15(19)8-3-1-2-4-9-15/h5-7,13,18-19H,1-4,8-10H2
InChIKeyVHSNRTVLAMAIKA-UHFFFAOYSA-N
XLogP3.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452391
2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756150
1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452151
1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448325
1-[2-(3-bromo-4-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103451976
[2-(2-bromo-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105327110
2-(2-bromo-3-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447641
2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol
CID 107192743
1-[2-(5-bromothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451857
3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol
CID 103456877
2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754232
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762886

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol?
The IUPAC name of 1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol (CID 103452055) is 1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol?
The canonical SMILES for 1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol is OC(Cc1cccc(F)c1Br)C1(O)CCCCCC1.
What is the InChIKey of 1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol?
The InChIKey is VHSNRTVLAMAIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO2/c16-14-11(6-5-7-12(14)17)10-13(18)15(19)8-3-1-2-4-9-15/h5-7,13,18-19H,1-4,8-10H2.
What are the key properties of 1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol?
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol has a molecular weight of 331.23 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol is sourced from PubChem (CID 103452055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).