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

C16H23BrO — CID 107985730

IUPAC(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)c2cccc(C)c2Br)C1
InChIInChI=1S/C16H23BrO/c1-3-12-7-5-8-13(10-12)16(18)14-9-4-6-11(2)15(14)17/h4,6,9,12-13,16,18H,3,5,7-8,10H2,1-2H3
InChIKeyBDPKIQRTNVFSDT-UHFFFAOYSA-N
MW311.26 g/mol
LogP5.01
Rot. Bonds3

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

(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol (PubChem CID 107985730) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol
PubChem CID107985730
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)c2cccc(C)c2Br)C1
InChIInChI=1S/C16H23BrO/c1-3-12-7-5-8-13(10-12)16(18)14-9-4-6-11(2)15(14)17/h4,6,9,12-13,16,18H,3,5,7-8,10H2,1-2H3
InChIKeyBDPKIQRTNVFSDT-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

N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 107985076
(4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol
CID 115808444
(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol
CID 64713267
[(3-ethylcyclohexyl)-(2-methylphenyl)methyl]hydrazine
CID 105200437
(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine
CID 130714890
[(2-bromo-3-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 114024320
(3,6-dimethylpyridazin-4-yl)-(3-ethylcyclohexyl)methanol
CID 105104447
(2-chlorophenyl)-(3-ethylcyclopentyl)methanol
CID 65411144
(5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol
CID 105104394
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115808482
1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 104992251
[(2-bromo-3-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 107986073

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol?
The IUPAC name of (2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol (CID 107985730) is (2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol?
The canonical SMILES for (2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol is CCC1CCCC(C(O)c2cccc(C)c2Br)C1.
What is the InChIKey of (2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol?
The InChIKey is BDPKIQRTNVFSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c1-3-12-7-5-8-13(10-12)16(18)14-9-4-6-11(2)15(14)17/h4,6,9,12-13,16,18H,3,5,7-8,10H2,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol?
(2-bromo-3-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 (2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol is sourced from PubChem (CID 107985730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).