(4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol

C16H23BrO2 — CID 115806067

IUPAC(4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol
SMILESCOc1cc(Br)ccc1C(O)C1CCC(C)C(C)C1
InChIInChI=1S/C16H23BrO2/c1-10-4-5-12(8-11(10)2)16(18)14-7-6-13(17)9-15(14)19-3/h6-7,9-12,16,18H,4-5,8H2,1-3H3
InChIKeyDDXQGLKMQBSEQL-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.56
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol

(4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol (PubChem CID 115806067) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol
PubChem CID115806067
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name(4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol
SMILESCOc1cc(Br)ccc1C(O)C1CCC(C)C(C)C1
InChIInChI=1S/C16H23BrO2/c1-10-4-5-12(8-11(10)2)16(18)14-7-6-13(17)9-15(14)19-3/h6-7,9-12,16,18H,4-5,8H2,1-3H3
InChIKeyDDXQGLKMQBSEQL-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989441
N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988095
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol
CID 61087765
(3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol
CID 115806226
(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947
1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol
CID 115814693
2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
CID 82623849
(2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol
CID 115806125
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401347
5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline
CID 64744839

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol (CID 115806067) is (4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol is COc1cc(Br)ccc1C(O)C1CCC(C)C(C)C1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol?
The InChIKey is DDXQGLKMQBSEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-10-4-5-12(8-11(10)2)16(18)14-7-6-13(17)9-15(14)19-3/h6-7,9-12,16,18H,4-5,8H2,1-3H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol?
(4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol has a molecular weight of 327.26 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 115806067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).