2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol

C17H18BrClO2 — CID 82778672

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
SMILESCOc1ccc(C)cc1CC(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H18BrClO2/c1-11-4-7-16(21-3)12(8-11)10-17(2,20)14-6-5-13(18)9-15(14)19/h4-9,20H,10H2,1-3H3
InChIKeyQVBLTFZAZXTCCE-UHFFFAOYSA-N
MW369.69 g/mol
LogP4.87
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol

2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol (PubChem CID 82778672) has the molecular formula C17H18BrClO2 and a molecular weight of 369.69 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
PubChem CID82778672
Molecular FormulaC17H18BrClO2
Molecular Weight369.69 g/mol
Exact Mass368.02
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
SMILESCOc1ccc(C)cc1CC(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H18BrClO2/c1-11-4-7-16(21-3)12(8-11)10-17(2,20)14-6-5-13(18)9-15(14)19/h4-9,20H,10H2,1-3H3
InChIKeyQVBLTFZAZXTCCE-UHFFFAOYSA-N
XLogP4.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 82776853
2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol
CID 82779362
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920
4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol
CID 83075942
1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965715
2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol
CID 82779284
1-(4-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826208
4-bromo-2-(2-chloro-2-methylpropyl)-1-methoxybenzene
CID 4605776
1-(5-bromo-2-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 63990515
1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 62534879
2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol
CID 106866065

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol (CID 82778672) is 2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol is COc1ccc(C)cc1CC(C)(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol?
The InChIKey is QVBLTFZAZXTCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClO2/c1-11-4-7-16(21-3)12(8-11)10-17(2,20)14-6-5-13(18)9-15(14)19/h4-9,20H,10H2,1-3H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol?
2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol has a molecular weight of 369.69 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol is sourced from PubChem (CID 82778672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).