2-(2-bromophenyl)-6-methylheptan-1-ol

C14H21BrO — CID 83168026

IUPAC2-(2-bromophenyl)-6-methylheptan-1-ol
SMILESCC(C)CCCC(CO)c1ccccc1Br
InChIInChI=1S/C14H21BrO/c1-11(2)6-5-7-12(10-16)13-8-3-4-9-14(13)15/h3-4,8-9,11-12,16H,5-7,10H2,1-2H3
InChIKeyMLTOSZKNJPKDOU-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.35
Rot. Bonds6

About 2-(2-bromophenyl)-6-methylheptan-1-ol

2-(2-bromophenyl)-6-methylheptan-1-ol (PubChem CID 83168026) has the molecular formula C14H21BrO and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-6-methylheptan-1-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-6-methylheptan-1-ol
PubChem CID83168026
Molecular FormulaC14H21BrO
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name2-(2-bromophenyl)-6-methylheptan-1-ol
SMILESCC(C)CCCC(CO)c1ccccc1Br
InChIInChI=1S/C14H21BrO/c1-11(2)6-5-7-12(10-16)13-8-3-4-9-14(13)15/h3-4,8-9,11-12,16H,5-7,10H2,1-2H3
InChIKeyMLTOSZKNJPKDOU-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
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2-(2-bromophenyl)-4-tert-butylsulfonylbutan-1-ol
CID 106734419
(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol
CID 86333738
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol
CID 116960199
2-(2-bromophenyl)-5-methyl-N-propan-2-ylhexan-1-amine
CID 79449223
2-amino-3-(2-bromophenyl)butan-1-ol
CID 83912818
(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine
CID 43103321
2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 79454525
2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-6-methylheptan-1-ol?
The IUPAC name of 2-(2-bromophenyl)-6-methylheptan-1-ol (CID 83168026) is 2-(2-bromophenyl)-6-methylheptan-1-ol.
What is the SMILES notation for 2-(2-bromophenyl)-6-methylheptan-1-ol?
The canonical SMILES for 2-(2-bromophenyl)-6-methylheptan-1-ol is CC(C)CCCC(CO)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-6-methylheptan-1-ol?
The InChIKey is MLTOSZKNJPKDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-11(2)6-5-7-12(10-16)13-8-3-4-9-14(13)15/h3-4,8-9,11-12,16H,5-7,10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-6-methylheptan-1-ol?
2-(2-bromophenyl)-6-methylheptan-1-ol has a molecular weight of 285.22 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-6-methylheptan-1-ol is sourced from PubChem (CID 83168026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).