2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol

C15H23BrO — CID 83168879

IUPAC2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol
SMILESCC(C)CCCC(CO)Cc1cccc(Br)c1
InChIInChI=1S/C15H23BrO/c1-12(2)5-3-7-14(11-17)9-13-6-4-8-15(16)10-13/h4,6,8,10,12,14,17H,3,5,7,9,11H2,1-2H3
InChIKeyIWTKEQHQPQLUHR-UHFFFAOYSA-N
MW299.25 g/mol
LogP4.43
Rot. Bonds7

About 2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol

2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol (PubChem CID 83168879) has the molecular formula C15H23BrO and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol
PubChem CID83168879
Molecular FormulaC15H23BrO
Molecular Weight299.25 g/mol
Exact Mass298.09
IUPAC Name2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol
SMILESCC(C)CCCC(CO)Cc1cccc(Br)c1
InChIInChI=1S/C15H23BrO/c1-12(2)5-3-7-14(11-17)9-13-6-4-8-15(16)10-13/h4,6,8,10,12,14,17H,3,5,7,9,11H2,1-2H3
InChIKeyIWTKEQHQPQLUHR-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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-bromophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66060363
2-[(3-bromophenyl)methyl]-4-ethoxybutan-1-ol
CID 66058870
2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582
2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 66058873
2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 86811592
2-[(3-bromophenyl)methyl]-4-(2-methoxyethoxy)butan-1-ol
CID 66058450
2-[(3-bromophenyl)methyl]-4-tert-butylsulfonylbutan-1-ol
CID 106734381
2-[1-(3-bromophenyl)propan-2-ylamino]propane-1,3-diol
CID 115724199
2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol
CID 66059500
2-[(3-bromophenyl)methyl]heptan-1-amine
CID 63495988
2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol
CID 115705338
2-[(3-bromophenyl)methyl]-4-(3-methylbutoxy)butan-1-amine
CID 62529993

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol?
The IUPAC name of 2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol (CID 83168879) is 2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol is CC(C)CCCC(CO)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol?
The InChIKey is IWTKEQHQPQLUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO/c1-12(2)5-3-7-14(11-17)9-13-6-4-8-15(16)10-13/h4,6,8,10,12,14,17H,3,5,7,9,11H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol?
2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol has a molecular weight of 299.25 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol is sourced from PubChem (CID 83168879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).