4-[(2-bromophenoxy)methyl]-3-methoxyphenol

C14H13BrO3 — CID 117219537

IUPAC4-[(2-bromophenoxy)methyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1COc1ccccc1Br
InChIInChI=1S/C14H13BrO3/c1-17-14-8-11(16)7-6-10(14)9-18-13-5-3-2-4-12(13)15/h2-8,16H,9H2,1H3
InChIKeySBLRQWBIJAEZGJ-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.74
Rot. Bonds4

About 4-[(2-bromophenoxy)methyl]-3-methoxyphenol

4-[(2-bromophenoxy)methyl]-3-methoxyphenol (PubChem CID 117219537) has the molecular formula C14H13BrO3 and a molecular weight of 309.16 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-3-methoxyphenol
PubChem CID117219537
Molecular FormulaC14H13BrO3
Molecular Weight309.16 g/mol
Exact Mass308.00
IUPAC Name4-[(2-bromophenoxy)methyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1COc1ccccc1Br
InChIInChI=1S/C14H13BrO3/c1-17-14-8-11(16)7-6-10(14)9-18-13-5-3-2-4-12(13)15/h2-8,16H,9H2,1H3
InChIKeySBLRQWBIJAEZGJ-UHFFFAOYSA-N
XLogP3.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromophenoxy)methyl]-5-methylphenol
CID 117221024
3-[(2-bromophenoxy)methyl]-4-methoxyaniline
CID 43134680
3-methoxy-4-[(4-methylphenoxy)methyl]phenol
CID 117219725
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783
4-(fluoromethyl)-3-methoxyphenol
CID 91883535
ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate
CID 139988094
[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine
CID 168529800
4-bromo-2-methoxy-1-(phenoxymethyl)benzene
CID 117219523
(Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide
CID 170877289
1-bromo-2-methoxybenzene;ethane
CID 91096433
1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045660
[4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine
CID 114479347

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-3-methoxyphenol?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-3-methoxyphenol (CID 117219537) is 4-[(2-bromophenoxy)methyl]-3-methoxyphenol.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-3-methoxyphenol?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-3-methoxyphenol is COc1cc(O)ccc1COc1ccccc1Br.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-3-methoxyphenol?
The InChIKey is SBLRQWBIJAEZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3/c1-17-14-8-11(16)7-6-10(14)9-18-13-5-3-2-4-12(13)15/h2-8,16H,9H2,1H3.
What are the key properties of 4-[(2-bromophenoxy)methyl]-3-methoxyphenol?
4-[(2-bromophenoxy)methyl]-3-methoxyphenol has a molecular weight of 309.16 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-3-methoxyphenol is sourced from PubChem (CID 117219537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).