2-[(4-bromophenyl)methyl]hexan-1-ol

C13H19BrO — CID 66059467

IUPAC2-[(4-bromophenyl)methyl]hexan-1-ol
SMILESCCCCC(CO)Cc1ccc(Br)cc1
InChIInChI=1S/C13H19BrO/c1-2-3-4-12(10-15)9-11-5-7-13(14)8-6-11/h5-8,12,15H,2-4,9-10H2,1H3
InChIKeyDFDCAQINRILQPJ-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.79
Rot. Bonds6

About 2-[(4-bromophenyl)methyl]hexan-1-ol

2-[(4-bromophenyl)methyl]hexan-1-ol (PubChem CID 66059467) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]hexan-1-ol.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]hexan-1-ol
PubChem CID66059467
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Name2-[(4-bromophenyl)methyl]hexan-1-ol
SMILESCCCCC(CO)Cc1ccc(Br)cc1
InChIInChI=1S/C13H19BrO/c1-2-3-4-12(10-15)9-11-5-7-13(14)8-6-11/h5-8,12,15H,2-4,9-10H2,1H3
InChIKeyDFDCAQINRILQPJ-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-[2-(bromomethyl)hexyl]benzene
CID 66040689
2-[(4-bromophenyl)methyl]-5-ethylsulfonylpentan-1-ol
CID 66058632
1-bromo-4-[2-(bromomethyl)decyl]benzene
CID 66042495
2-[(4-methylphenyl)methyl]undecan-1-ol
CID 66059453
2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 63522974
2-benzyloctadecan-1-ol
CID 67814123
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
2-[(4-bromophenyl)methyl]tridecane-1-thiol;hydrochloride
CID 173007185
2-[(4-bromophenyl)methyl]-N-methylundecan-1-amine
CID 63521360
2-[(4-bromophenyl)methyl]-4-(3-methoxypropoxy)butan-1-ol
CID 103184943
2-[(4-bromophenyl)methyl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol
CID 89289925
4-(2-butylheptyl)phenol
CID 118370129

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]hexan-1-ol?
The IUPAC name of 2-[(4-bromophenyl)methyl]hexan-1-ol (CID 66059467) is 2-[(4-bromophenyl)methyl]hexan-1-ol.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]hexan-1-ol?
The canonical SMILES for 2-[(4-bromophenyl)methyl]hexan-1-ol is CCCCC(CO)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]hexan-1-ol?
The InChIKey is DFDCAQINRILQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO/c1-2-3-4-12(10-15)9-11-5-7-13(14)8-6-11/h5-8,12,15H,2-4,9-10H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methyl]hexan-1-ol?
2-[(4-bromophenyl)methyl]hexan-1-ol has a molecular weight of 271.20 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]hexan-1-ol is sourced from PubChem (CID 66059467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).