2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol

C14H20BrClO — CID 83157267

IUPAC2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol
SMILESCC(C)CCCC(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H20BrClO/c1-10(2)5-4-8-14(3,17)12-7-6-11(15)9-13(12)16/h6-7,9-10,17H,4-5,8H2,1-3H3
InChIKeyPWYKSZYTNBNXEY-UHFFFAOYSA-N
MW319.67 g/mol
LogP5.14
Rot. Bonds5

About 2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol

2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol (PubChem CID 83157267) has the molecular formula C14H20BrClO and a molecular weight of 319.67 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol
PubChem CID83157267
Molecular FormulaC14H20BrClO
Molecular Weight319.67 g/mol
Exact Mass318.04
IUPAC Name2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol
SMILESCC(C)CCCC(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H20BrClO/c1-10(2)5-4-8-14(3,17)12-7-6-11(15)9-13(12)16/h6-7,9-10,17H,4-5,8H2,1-3H3
InChIKeyPWYKSZYTNBNXEY-UHFFFAOYSA-N
XLogP5.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.67
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol
CID 82779284
2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol
CID 114191784
2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
CID 82779190
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
CID 82780730
2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol
CID 82779450
2-(2-bromophenyl)-6-methylheptan-2-ol
CID 83157247
1-[[2-(4-bromo-2-chlorophenyl)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 138016345
2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol
CID 82779362
2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol
CID 82779706
3-(aminomethyl)-2-(4-bromo-2-chlorophenyl)hexan-2-ol
CID 82781129

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol (CID 83157267) is 2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol is CC(C)CCCC(C)(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol?
The InChIKey is PWYKSZYTNBNXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClO/c1-10(2)5-4-8-14(3,17)12-7-6-11(15)9-13(12)16/h6-7,9-10,17H,4-5,8H2,1-3H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol?
2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol has a molecular weight of 319.67 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol is sourced from PubChem (CID 83157267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).