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

C17H25BrO3 — CID 107181873

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
SMILESCOc1ccc(C(O)C2CCCCC2(C)C)c(OC)c1Br
InChIInChI=1S/C17H25BrO3/c1-17(2)10-6-5-7-12(17)15(19)11-8-9-13(20-3)14(18)16(11)21-4/h8-9,12,15,19H,5-7,10H2,1-4H3
InChIKeyCVYOVSKZJNHFSY-UHFFFAOYSA-N
MW357.29 g/mol
LogP4.72
Rot. Bonds4

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

(3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol (PubChem CID 107181873) has the molecular formula C17H25BrO3 and a molecular weight of 357.29 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
PubChem CID107181873
Molecular FormulaC17H25BrO3
Molecular Weight357.29 g/mol
Exact Mass356.10
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
SMILESCOc1ccc(C(O)C2CCCCC2(C)C)c(OC)c1Br
InChIInChI=1S/C17H25BrO3/c1-17(2)10-6-5-7-12(17)15(19)11-8-9-13(20-3)14(18)16(11)21-4/h8-9,12,15,19H,5-7,10H2,1-4H3
InChIKeyCVYOVSKZJNHFSY-UHFFFAOYSA-N
XLogP4.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclopentyl)-(4-methoxynaphthalen-1-yl)methanol
CID 107181495
(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol
CID 107191971
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181861
3-bromo-1-[chloro-(2,2-dimethylcyclopropyl)methyl]-2,4-dimethoxybenzene
CID 107002853
(2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 107181845
(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177622
(2,2-dimethylcyclohexyl)-(2-ethoxyphenyl)methanol
CID 107192228
(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
CID 107181750
(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol
CID 107002440
1-(3-bromo-2,4-dimethoxyphenyl)-2-(1,1-dioxothiolan-3-yl)ethanol
CID 103524551
[(3-bromo-2,4-dimethoxyphenyl)-cyclohexylmethyl]hydrazine
CID 103524580
(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107193133

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol (CID 107181873) is (3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol is COc1ccc(C(O)C2CCCCC2(C)C)c(OC)c1Br.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol?
The InChIKey is CVYOVSKZJNHFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrO3/c1-17(2)10-6-5-7-12(17)15(19)11-8-9-13(20-3)14(18)16(11)21-4/h8-9,12,15,19H,5-7,10H2,1-4H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol?
(3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol has a molecular weight of 357.29 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol is sourced from PubChem (CID 107181873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).