4-bromo-2-hexyl-6-methoxyphenol

C13H19BrO2 — CID 20721135

IUPAC4-bromo-2-hexyl-6-methoxyphenol
SMILESCCCCCCc1cc(Br)cc(OC)c1O
InChIInChI=1S/C13H19BrO2/c1-3-4-5-6-7-10-8-11(14)9-12(16-2)13(10)15/h8-9,15H,3-7H2,1-2H3
InChIKeyYGZRXBYIGNKUIV-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.29
Rot. Bonds6

About 4-bromo-2-hexyl-6-methoxyphenol

4-bromo-2-hexyl-6-methoxyphenol (PubChem CID 20721135) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-bromo-2-hexyl-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-hexyl-6-methoxyphenol
PubChem CID20721135
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name4-bromo-2-hexyl-6-methoxyphenol
SMILESCCCCCCc1cc(Br)cc(OC)c1O
InChIInChI=1S/C13H19BrO2/c1-3-4-5-6-7-10-8-11(14)9-12(16-2)13(10)15/h8-9,15H,3-7H2,1-2H3
InChIKeyYGZRXBYIGNKUIV-UHFFFAOYSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-6-pentylphenol
CID 13197794
2-heptadecyl-6-methoxyphenol
CID 10713705
2,4-dimethoxy-6-pentadec-10-enylphenol
CID 78385594
2,6-dimethoxy-4-pentylphenol
CID 22625510
4-bromo-2-hexylphenol
CID 22134514
4-bromo-2-dodecylphenol
CID 25207881
2,6-di(undecyl)benzene-1,4-diol
CID 139946395
2,6-di(tridecyl)benzene-1,4-diol
CID 19033571
4-bromo-2,6-bis(octylsulfanylmethyl)phenol
CID 71398376
4-bromo-3-methoxy-5-[(E)-pentadec-10-enyl]phenol
CID 10093030
2-methoxy-4,6-bis(octylsulfanylmethyl)phenol
CID 156698134
2,4,6-triheptylphenol
CID 139692303

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hexyl-6-methoxyphenol?
The IUPAC name of 4-bromo-2-hexyl-6-methoxyphenol (CID 20721135) is 4-bromo-2-hexyl-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-hexyl-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-hexyl-6-methoxyphenol is CCCCCCc1cc(Br)cc(OC)c1O.
What is the InChIKey of 4-bromo-2-hexyl-6-methoxyphenol?
The InChIKey is YGZRXBYIGNKUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-3-4-5-6-7-10-8-11(14)9-12(16-2)13(10)15/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 4-bromo-2-hexyl-6-methoxyphenol?
4-bromo-2-hexyl-6-methoxyphenol has a molecular weight of 287.20 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hexyl-6-methoxyphenol is sourced from PubChem (CID 20721135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).