4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol

C15H15BrO2 — CID 112614206

IUPAC4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol
SMILESCc1cccc(CBr)c1OCc1ccc(O)cc1
InChIInChI=1S/C15H15BrO2/c1-11-3-2-4-13(9-16)15(11)18-10-12-5-7-14(17)8-6-12/h2-8,17H,9-10H2,1H3
InChIKeyFLMSKVSEPNTCCT-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.17
Rot. Bonds4

About 4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol

4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol (PubChem CID 112614206) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol
PubChem CID112614206
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol
SMILESCc1cccc(CBr)c1OCc1ccc(O)cc1
InChIInChI=1S/C15H15BrO2/c1-11-3-2-4-13(9-16)15(11)18-10-12-5-7-14(17)8-6-12/h2-8,17H,9-10H2,1H3
InChIKeyFLMSKVSEPNTCCT-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 115956849
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579
1-(bromomethyl)-2-[(3,4-dimethoxyphenyl)methoxy]-3-methylbenzene
CID 115956901
1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 112614167
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
CID 112614225
5-[[2-(bromomethyl)-6-methylphenoxy]methyl]-2-methoxybenzonitrile
CID 115956914
1-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzene
CID 114850389
1-(bromomethyl)-3-methyl-2-(4,4,4-trifluorobutoxy)benzene
CID 112614188
1-(bromomethyl)-5-methylnaphthalene
CID 15657418
[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine
CID 115951807
1-(bromomethyl)-3-chloro-2-[(4-ethylphenyl)methoxy]benzene
CID 112613813
2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-5-chlorothiophene
CID 112614144

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol?
The IUPAC name of 4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol (CID 112614206) is 4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol.
What is the SMILES notation for 4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol?
The canonical SMILES for 4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol is Cc1cccc(CBr)c1OCc1ccc(O)cc1.
What is the InChIKey of 4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol?
The InChIKey is FLMSKVSEPNTCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-11-3-2-4-13(9-16)15(11)18-10-12-5-7-14(17)8-6-12/h2-8,17H,9-10H2,1H3.
What are the key properties of 4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol?
4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol has a molecular weight of 307.19 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol is sourced from PubChem (CID 112614206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).