4-(2,6-dibromononyl)phenol

C15H22Br2O — CID 14832357

IUPAC4-(2,6-dibromononyl)phenol
SMILESCCCC(Br)CCCC(Br)Cc1ccc(O)cc1
InChIInChI=1S/C15H22Br2O/c1-2-4-13(16)5-3-6-14(17)11-12-7-9-15(18)10-8-12/h7-10,13-14,18H,2-6,11H2,1H3
InChIKeyQHXKPTQRIQGAHI-UHFFFAOYSA-N
MW378.15 g/mol
LogP5.43
Rot. Bonds8

About 4-(2,6-dibromononyl)phenol

4-(2,6-dibromononyl)phenol (PubChem CID 14832357) has the molecular formula C15H22Br2O and a molecular weight of 378.15 g/mol. Its IUPAC name is 4-(2,6-dibromononyl)phenol.

Molecular Properties

Compound Name4-(2,6-dibromononyl)phenol
PubChem CID14832357
Molecular FormulaC15H22Br2O
Molecular Weight378.15 g/mol
Exact Mass376.00
IUPAC Name4-(2,6-dibromononyl)phenol
SMILESCCCC(Br)CCCC(Br)Cc1ccc(O)cc1
InChIInChI=1S/C15H22Br2O/c1-2-4-13(16)5-3-6-14(17)11-12-7-9-15(18)10-8-12/h7-10,13-14,18H,2-6,11H2,1H3
InChIKeyQHXKPTQRIQGAHI-UHFFFAOYSA-N
XLogP5.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.15
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromodecyl)-4-methylbenzene
CID 65427581
1-(4-hydroxyphenyl)heptane-2,3-diol
CID 91525672
1-(2-bromohexyl)-4-methoxybenzene
CID 63543278
1-(4-hydroxyphenyl)octane-2,3-diol
CID 91510264
2-bromotridecylbenzene
CID 65427778
4-(2-butylheptyl)phenol
CID 118370129
1-[4-(2-bromooctyl)phenyl]ethanone
CID 70126047
4-(2-butyltetradecyl)phenol
CID 70630098
4-(2-aminooctyl)phenol
CID 69403996
4-[2,6-bis(2-phenylethenyl)nonyl]phenol
CID 57293766
4-[2-[1-(4-hydroxyphenyl)dodecan-2-ylsulfanyl]dodecyl]phenol
CID 21440314
N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide
CID 82259405

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dibromononyl)phenol?
The IUPAC name of 4-(2,6-dibromononyl)phenol (CID 14832357) is 4-(2,6-dibromononyl)phenol.
What is the SMILES notation for 4-(2,6-dibromononyl)phenol?
The canonical SMILES for 4-(2,6-dibromononyl)phenol is CCCC(Br)CCCC(Br)Cc1ccc(O)cc1.
What is the InChIKey of 4-(2,6-dibromononyl)phenol?
The InChIKey is QHXKPTQRIQGAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2O/c1-2-4-13(16)5-3-6-14(17)11-12-7-9-15(18)10-8-12/h7-10,13-14,18H,2-6,11H2,1H3.
What are the key properties of 4-(2,6-dibromononyl)phenol?
4-(2,6-dibromononyl)phenol has a molecular weight of 378.15 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dibromononyl)phenol is sourced from PubChem (CID 14832357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).