(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol

C15H19BrClFO — CID 107181881

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol
SMILESCC1(C)CCCCC1C(O)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C15H19BrClFO/c1-15(2)6-4-3-5-10(15)14(19)9-7-12(17)11(16)8-13(9)18/h7-8,10,14,19H,3-6H2,1-2H3
InChIKeyHQGZRCBDZWFICQ-UHFFFAOYSA-N
MW349.67 g/mol
LogP5.49
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol

(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol (PubChem CID 107181881) has the molecular formula C15H19BrClFO and a molecular weight of 349.67 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol
PubChem CID107181881
Molecular FormulaC15H19BrClFO
Molecular Weight349.67 g/mol
Exact Mass348.03
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol
SMILESCC1(C)CCCCC1C(O)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C15H19BrClFO/c1-15(2)6-4-3-5-10(15)14(19)9-7-12(17)11(16)8-13(9)18/h7-8,10,14,19H,3-6H2,1-2H3
InChIKeyHQGZRCBDZWFICQ-UHFFFAOYSA-N
XLogP5.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.67
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107181647
(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107193133
(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001430
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181861
1-(4-bromo-2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177838
3-bicyclo[3.1.0]hexanyl-(4-bromo-5-chloro-2-fluorophenyl)methanol
CID 105399358
2-[(4-bromo-5-chloro-2-fluorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid
CID 105399251
(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol
CID 107181811
N-[(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001432
(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107192972
N-[(2-chloro-4,5-difluorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107476517
(4-bromo-5-chloro-2-fluorophenyl)-cycloheptylmethanamine
CID 105398660

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol (CID 107181881) is (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol is CC1(C)CCCCC1C(O)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol?
The InChIKey is HQGZRCBDZWFICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClFO/c1-15(2)6-4-3-5-10(15)14(19)9-7-12(17)11(16)8-13(9)18/h7-8,10,14,19H,3-6H2,1-2H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol?
(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol has a molecular weight of 349.67 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol is sourced from PubChem (CID 107181881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).