(5-bromo-2-octoxyphenyl)methanol

C15H23BrO2 — CID 3459846

IUPAC(5-bromo-2-octoxyphenyl)methanol
SMILESCCCCCCCCOc1ccc(Br)cc1CO
InChIInChI=1S/C15H23BrO2/c1-2-3-4-5-6-7-10-18-15-9-8-14(16)11-13(15)12-17/h8-9,11,17H,2-7,10,12H2,1H3
InChIKeyADAWAAQDCMYAFW-UHFFFAOYSA-N
MW315.25 g/mol
LogP4.68
Rot. Bonds9

About (5-bromo-2-octoxyphenyl)methanol

(5-bromo-2-octoxyphenyl)methanol (PubChem CID 3459846) has the molecular formula C15H23BrO2 and a molecular weight of 315.25 g/mol. Its IUPAC name is (5-bromo-2-octoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-octoxyphenyl)methanol
PubChem CID3459846
Molecular FormulaC15H23BrO2
Molecular Weight315.25 g/mol
Exact Mass314.09
IUPAC Name(5-bromo-2-octoxyphenyl)methanol
SMILESCCCCCCCCOc1ccc(Br)cc1CO
InChIInChI=1S/C15H23BrO2/c1-2-3-4-5-6-7-10-18-15-9-8-14(16)11-13(15)12-17/h8-9,11,17H,2-7,10,12H2,1H3
InChIKeyADAWAAQDCMYAFW-UHFFFAOYSA-N
XLogP4.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 54.68
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

(5-bromo-2-decoxyphenyl)methanamine
CID 63499328
3-(hydroxymethyl)-4-nonoxyphenol
CID 14278819
2-(5-bromo-2-heptoxyphenyl)ethanamine
CID 55199979
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
1-(5-bromo-2-octoxyphenyl)propan-2-amine
CID 63421163
2,4-dibromo-1-heptoxybenzene
CID 101293515
2,4-dibromo-1-octoxybenzene
CID 101293529
N-[(5-bromo-2-heptoxyphenyl)methyl]propan-1-amine
CID 43277545
1-(5-bromo-2-hexoxyphenyl)butan-2-amine
CID 63421563
5-bromo-2-hexoxyaniline
CID 28994958
5-bromo-2-nonoxybenzoic acid
CID 43129492
(2-octoxyphenyl)methanol
CID 43128604

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-octoxyphenyl)methanol?
The IUPAC name of (5-bromo-2-octoxyphenyl)methanol (CID 3459846) is (5-bromo-2-octoxyphenyl)methanol.
What is the SMILES notation for (5-bromo-2-octoxyphenyl)methanol?
The canonical SMILES for (5-bromo-2-octoxyphenyl)methanol is CCCCCCCCOc1ccc(Br)cc1CO.
What is the InChIKey of (5-bromo-2-octoxyphenyl)methanol?
The InChIKey is ADAWAAQDCMYAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO2/c1-2-3-4-5-6-7-10-18-15-9-8-14(16)11-13(15)12-17/h8-9,11,17H,2-7,10,12H2,1H3.
What are the key properties of (5-bromo-2-octoxyphenyl)methanol?
(5-bromo-2-octoxyphenyl)methanol has a molecular weight of 315.25 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-octoxyphenyl)methanol is sourced from PubChem (CID 3459846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).