2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol

C15H23BrO — CID 66060363

IUPAC2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)CCC(CO)Cc1cccc(Br)c1
InChIInChI=1S/C15H23BrO/c1-15(2,3)8-7-13(11-17)9-12-5-4-6-14(16)10-12/h4-6,10,13,17H,7-9,11H2,1-3H3
InChIKeyOTYGCCSHKRHPRU-UHFFFAOYSA-N
MW299.25 g/mol
LogP4.43
Rot. Bonds5

About 2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol

2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol (PubChem CID 66060363) has the molecular formula C15H23BrO and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol
PubChem CID66060363
Molecular FormulaC15H23BrO
Molecular Weight299.25 g/mol
Exact Mass298.09
IUPAC Name2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)CCC(CO)Cc1cccc(Br)c1
InChIInChI=1S/C15H23BrO/c1-15(2,3)8-7-13(11-17)9-12-5-4-6-14(16)10-12/h4-6,10,13,17H,7-9,11H2,1-3H3
InChIKeyOTYGCCSHKRHPRU-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66059277
2-[(3-bromophenyl)methyl]-4-tert-butylsulfonylbutan-1-ol
CID 106734381
2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol
CID 83168879
1-(3-bromophenyl)-5,5-dimethylhexan-2-amine
CID 62601843
2-[(3-bromophenyl)methyl]-4-ethoxybutan-1-ol
CID 66058870
2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582
2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 86811592
2-[(3-bromophenyl)methyl]-4-(2-methoxyethoxy)butan-1-ol
CID 66058450
5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol
CID 66060531
2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 66058873
1-bromo-3-(3,3-dimethylbutyl)benzene
CID 58974913
1-(3-bromophenyl)-4,4-dimethylpentan-2-ol
CID 63015862

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol?
The IUPAC name of 2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol (CID 66060363) is 2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol is CC(C)(C)CCC(CO)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol?
The InChIKey is OTYGCCSHKRHPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO/c1-15(2,3)8-7-13(11-17)9-12-5-4-6-14(16)10-12/h4-6,10,13,17H,7-9,11H2,1-3H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol?
2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol has a molecular weight of 299.25 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol is sourced from PubChem (CID 66060363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).