1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol

C17H25BrO3 — CID 107449740

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCCC(C(C)C)C2)c(OC)c1Br
InChIInChI=1S/C17H25BrO3/c1-11(2)12-6-5-9-17(19,10-12)13-7-8-14(20-3)15(18)16(13)21-4/h7-8,11-12,19H,5-6,9-10H2,1-4H3
InChIKeyYFAXPPHBFSBUAC-UHFFFAOYSA-N
MW357.29 g/mol
LogP4.50
Rot. Bonds4

About 1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol

1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107449740) has the molecular formula C17H25BrO3 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol
PubChem CID107449740
Molecular FormulaC17H25BrO3
Molecular Weight357.29 g/mol
Exact Mass356.10
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCCC(C(C)C)C2)c(OC)c1Br
InChIInChI=1S/C17H25BrO3/c1-11(2)12-6-5-9-17(19,10-12)13-7-8-14(20-3)15(18)16(13)21-4/h7-8,11-12,19H,5-6,9-10H2,1-4H3
InChIKeyYFAXPPHBFSBUAC-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2,4-dimethoxyphenyl)-4,4-dimethylcycloheptan-1-ol
CID 103522872
1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090264
3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol
CID 107449831
1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449693
3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 107449859
1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449913
1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84809618
1-(3-bromo-2,4-dimethoxyphenyl)-3,4-dimethylcyclohexan-1-amine
CID 103523023
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107450061
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449892
1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449706

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol (CID 107449740) is 1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol is COc1ccc(C2(O)CCCC(C(C)C)C2)c(OC)c1Br.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is YFAXPPHBFSBUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrO3/c1-11(2)12-6-5-9-17(19,10-12)13-7-8-14(20-3)15(18)16(13)21-4/h7-8,11-12,19H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol?
1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 357.29 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107449740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).