(4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol

C16H23BrO — CID 115808444

IUPAC(4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)c2ccc(Br)cc2C)C1
InChIInChI=1S/C16H23BrO/c1-3-12-5-4-6-13(10-12)16(18)15-8-7-14(17)9-11(15)2/h7-9,12-13,16,18H,3-6,10H2,1-2H3
InChIKeyDUUPARVTWPIBMV-UHFFFAOYSA-N
MW311.26 g/mol
LogP5.01
Rot. Bonds3

About (4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol

(4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol (PubChem CID 115808444) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol
PubChem CID115808444
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name(4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)c2ccc(Br)cc2C)C1
InChIInChI=1S/C16H23BrO/c1-3-12-5-4-6-13(10-12)16(18)15-8-7-14(17)9-11(15)2/h7-9,12-13,16,18H,3-6,10H2,1-2H3
InChIKeyDUUPARVTWPIBMV-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.26
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol
CID 107985730
(4-bromo-2-methylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822026
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol
CID 115789681
(3,6-dimethylpyridazin-4-yl)-(3-ethylcyclohexyl)methanol
CID 105104447
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
CID 115847235
N-[(4-bromo-2-fluorophenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 114906767
(5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol
CID 105104394
(2,4-dimethylphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415138
(3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol
CID 115808567
(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 65415344
[4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol
CID 115808455
(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol
CID 64713267

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol?
The IUPAC name of (4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol (CID 115808444) is (4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol?
The canonical SMILES for (4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol is CCC1CCCC(C(O)c2ccc(Br)cc2C)C1.
What is the InChIKey of (4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol?
The InChIKey is DUUPARVTWPIBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c1-3-12-5-4-6-13(10-12)16(18)15-8-7-14(17)9-11(15)2/h7-9,12-13,16,18H,3-6,10H2,1-2H3.
What are the key properties of (4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol?
(4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol has a molecular weight of 311.26 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol is sourced from PubChem (CID 115808444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).