[5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol

C15H21BrO2 — CID 112621149

IUPAC[5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OC1CCC(C)CC1
InChIInChI=1S/C15H21BrO2/c1-10-3-5-14(6-4-10)18-15-11(2)7-13(16)8-12(15)9-17/h7-8,10,14,17H,3-6,9H2,1-2H3
InChIKeyDGYCIIDBDWBWLE-UHFFFAOYSA-N
MW313.24 g/mol
LogP4.21
Rot. Bonds3

About [5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol

[5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol (PubChem CID 112621149) has the molecular formula C15H21BrO2 and a molecular weight of 313.24 g/mol. Its IUPAC name is [5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol.

Molecular Properties

Compound Name[5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol
PubChem CID112621149
Molecular FormulaC15H21BrO2
Molecular Weight313.24 g/mol
Exact Mass312.07
IUPAC Name[5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OC1CCC(C)CC1
InChIInChI=1S/C15H21BrO2/c1-10-3-5-14(6-4-10)18-15-11(2)7-13(16)8-12(15)9-17/h7-8,10,14,17H,3-6,9H2,1-2H3
InChIKeyDGYCIIDBDWBWLE-UHFFFAOYSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-(chloromethyl)-3-methyl-2-(4-methylcyclohexyl)oxybenzene
CID 112621258
[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanol
CID 62001341
(5-bromo-2-methoxy-3-methylphenyl)methanol
CID 58993702
(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol
CID 84709075
[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol
CID 112621165
[3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64749120
5-bromo-1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-3-methylbenzene
CID 112621406
[5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine
CID 112619867
(5-bromo-3-methyl-2-propoxyphenyl)methanol
CID 112621128
5-bromo-3-methyl-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride
CID 64748486
4-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-1,1-dioxothiolan-3-ol
CID 112620953
5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene
CID 64750283

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol?
The IUPAC name of [5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol (CID 112621149) is [5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol.
What is the SMILES notation for [5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol?
The canonical SMILES for [5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol is Cc1cc(Br)cc(CO)c1OC1CCC(C)CC1.
What is the InChIKey of [5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol?
The InChIKey is DGYCIIDBDWBWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-10-3-5-14(6-4-10)18-15-11(2)7-13(16)8-12(15)9-17/h7-8,10,14,17H,3-6,9H2,1-2H3.
What are the key properties of [5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol?
[5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol has a molecular weight of 313.24 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol is sourced from PubChem (CID 112621149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).