2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol

C15H20BrFO — CID 63460147

IUPAC2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(Cc2cc(F)ccc2Br)C1
InChIInChI=1S/C15H20BrFO/c1-2-10-3-6-15(18)12(7-10)8-11-9-13(17)4-5-14(11)16/h4-5,9-10,12,15,18H,2-3,6-8H2,1H3
InChIKeyXBXQQDKHTYNNLH-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.32
Rot. Bonds3

About 2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol

2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 63460147) has the molecular formula C15H20BrFO and a molecular weight of 315.23 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
PubChem CID63460147
Molecular FormulaC15H20BrFO
Molecular Weight315.23 g/mol
Exact Mass314.07
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(Cc2cc(F)ccc2Br)C1
InChIInChI=1S/C15H20BrFO/c1-2-10-3-6-15(18)12(7-10)8-11-9-13(17)4-5-14(11)16/h4-5,9-10,12,15,18H,2-3,6-8H2,1H3
InChIKeyXBXQQDKHTYNNLH-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 102619664
2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-one
CID 63399488
2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 63403844
4-ethyl-2-[(4-ethylphenyl)methyl]cyclohexan-1-ol
CID 63461440
2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine
CID 81015031
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
CID 62161726
2-[(2-bromo-5-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81020954
2-[(4-bromo-2-nitrophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 114382415
1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene
CID 64910113
2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403747
1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81033459
4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol
CID 63489076

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol (CID 63460147) is 2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(Cc2cc(F)ccc2Br)C1.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is XBXQQDKHTYNNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO/c1-2-10-3-6-15(18)12(7-10)8-11-9-13(17)4-5-14(11)16/h4-5,9-10,12,15,18H,2-3,6-8H2,1H3.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 315.23 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 63460147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).