(4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol

C15H21BrO3 — CID 105056972

IUPAC(4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol
SMILESCOc1cc(C(O)C2CCCCC2)c(OC)cc1Br
InChIInChI=1S/C15H21BrO3/c1-18-13-9-12(16)14(19-2)8-11(13)15(17)10-6-4-3-5-7-10/h8-10,15,17H,3-7H2,1-2H3
InChIKeyBTMDPMMUHKBCDB-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.08
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol

(4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol (PubChem CID 105056972) has the molecular formula C15H21BrO3 and a molecular weight of 329.23 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol
PubChem CID105056972
Molecular FormulaC15H21BrO3
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol
SMILESCOc1cc(C(O)C2CCCCC2)c(OC)cc1Br
InChIInChI=1S/C15H21BrO3/c1-18-13-9-12(16)14(19-2)8-11(13)15(17)10-6-4-3-5-7-10/h8-10,15,17H,3-7H2,1-2H3
InChIKeyBTMDPMMUHKBCDB-UHFFFAOYSA-N
XLogP4.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl-(2,4,5-trimethoxyphenyl)methanol
CID 82932669
(2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol
CID 61087765
1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine
CID 105056685
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
(1R,2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)-1-cyclobutylethanol;hydrochloride
CID 171266633
7-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]bicyclo[4.1.0]heptane
CID 105057450
1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 63509267
(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
CID 61100157
cyclohexyl-(3,4,5-trimethoxyphenyl)methanol
CID 63895814
cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 115350010
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-bromo-2,5-dimethoxyphenyl)-N-methylmethanamine
CID 105056754

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol (CID 105056972) is (4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol is COc1cc(C(O)C2CCCCC2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol?
The InChIKey is BTMDPMMUHKBCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO3/c1-18-13-9-12(16)14(19-2)8-11(13)15(17)10-6-4-3-5-7-10/h8-10,15,17H,3-7H2,1-2H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol?
(4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol has a molecular weight of 329.23 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol is sourced from PubChem (CID 105056972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).