7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol

C15H22Br2O — CID 171079501

IUPAC7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol
SMILESCC(C)(CO)CCCCC(Br)c1cccc(Br)c1
InChIInChI=1S/C15H22Br2O/c1-15(2,11-18)9-4-3-8-14(17)12-6-5-7-13(16)10-12/h5-7,10,14,18H,3-4,8-9,11H2,1-2H3
InChIKeyDXJICXKBSGSXHF-UHFFFAOYSA-N
MW378.15 g/mol
LogP5.46
Rot. Bonds7

About 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol

7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol (PubChem CID 171079501) has the molecular formula C15H22Br2O and a molecular weight of 378.15 g/mol. Its IUPAC name is 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol.

Molecular Properties

Compound Name7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol
PubChem CID171079501
Molecular FormulaC15H22Br2O
Molecular Weight378.15 g/mol
Exact Mass376.00
IUPAC Name7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol
SMILESCC(C)(CO)CCCCC(Br)c1cccc(Br)c1
InChIInChI=1S/C15H22Br2O/c1-15(2,11-18)9-4-3-8-14(17)12-6-5-7-13(16)10-12/h5-7,10,14,18H,3-4,8-9,11H2,1-2H3
InChIKeyDXJICXKBSGSXHF-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.15
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-bromo-7-(3-bromophenyl)-2,2-dimethylheptanal
CID 171079837
6-(3-bromophenyl)-6-iodophosphanyloxy-2,2-dimethylhexan-1-ol
CID 171076676
benzyl N-[6-bromo-6-(3-bromophenyl)-2,2-dimethylhexyl]-N-methylcarbamate
CID 171078217
6-(3-bromophenyl)-2,2-dimethyl-6-(oxan-2-yloxy)hexan-1-ol
CID 171077010
1-bromo-3-(1,2-dibromoethyl)benzene
CID 139746673
3-bromo-3-(3-bromophenyl)propanoic acid
CID 11150960
3-[3-bromo-3-(3-bromophenyl)propoxy]-2,2-dimethylpropanal
CID 171078914
1-(3-bromophenyl)-4-methylpentane-1,4-diamine
CID 116934811
1-(3-bromophenyl)hexan-1-amine
CID 62602572
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950243
1-(3-bromophenyl)heptan-1-amine
CID 62602381

Frequently Asked Questions

What is the IUPAC name of 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol?
The IUPAC name of 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol (CID 171079501) is 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol.
What is the SMILES notation for 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol?
The canonical SMILES for 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol is CC(C)(CO)CCCCC(Br)c1cccc(Br)c1.
What is the InChIKey of 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol?
The InChIKey is DXJICXKBSGSXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2O/c1-15(2,11-18)9-4-3-8-14(17)12-6-5-7-13(16)10-12/h5-7,10,14,18H,3-4,8-9,11H2,1-2H3.
What are the key properties of 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol?
7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol has a molecular weight of 378.15 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-7-(3-bromophenyl)-2,2-dimethylheptan-1-ol is sourced from PubChem (CID 171079501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).