2-bromo-3-methyl-4-phenylmethoxyphenol

C14H13BrO2 — CID 150350676

IUPAC2-bromo-3-methyl-4-phenylmethoxyphenol
SMILESCc1c(OCc2ccccc2)ccc(O)c1Br
InChIInChI=1S/C14H13BrO2/c1-10-13(8-7-12(16)14(10)15)17-9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3
InChIKeyGTRCZHKDFFIKKH-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.04
Rot. Bonds3

About 2-bromo-3-methyl-4-phenylmethoxyphenol

2-bromo-3-methyl-4-phenylmethoxyphenol (PubChem CID 150350676) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-bromo-3-methyl-4-phenylmethoxyphenol.

Molecular Properties

Compound Name2-bromo-3-methyl-4-phenylmethoxyphenol
PubChem CID150350676
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name2-bromo-3-methyl-4-phenylmethoxyphenol
SMILESCc1c(OCc2ccccc2)ccc(O)c1Br
InChIInChI=1S/C14H13BrO2/c1-10-13(8-7-12(16)14(10)15)17-9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3
InChIKeyGTRCZHKDFFIKKH-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-phenylmethoxybenzene-1,2-diol
CID 86049780
2-bromo-4-methoxy-3-methylphenol
CID 54571766
1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene
CID 134498356
2-bromo-6-phenylmethoxyphenol
CID 67346586
(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
2,3-dimethyl-4-phenylmethoxybenzenesulfonamide
CID 43342343
2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol
CID 145389555
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
1-hydroxy-2,3-dimethyl-4-phenylmethoxypyridin-1-ium
CID 152985239
2,3-dihydroxy-6-phenylmethoxybenzaldehyde
CID 174450407
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
2-methyl-3-(phenylmethoxymethoxy)phenol
CID 102939968

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-4-phenylmethoxyphenol?
The IUPAC name of 2-bromo-3-methyl-4-phenylmethoxyphenol (CID 150350676) is 2-bromo-3-methyl-4-phenylmethoxyphenol.
What is the SMILES notation for 2-bromo-3-methyl-4-phenylmethoxyphenol?
The canonical SMILES for 2-bromo-3-methyl-4-phenylmethoxyphenol is Cc1c(OCc2ccccc2)ccc(O)c1Br.
What is the InChIKey of 2-bromo-3-methyl-4-phenylmethoxyphenol?
The InChIKey is GTRCZHKDFFIKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-10-13(8-7-12(16)14(10)15)17-9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3.
What are the key properties of 2-bromo-3-methyl-4-phenylmethoxyphenol?
2-bromo-3-methyl-4-phenylmethoxyphenol has a molecular weight of 293.16 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-4-phenylmethoxyphenol is sourced from PubChem (CID 150350676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).