2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol

C11H15BrO2 — CID 117400978

IUPAC2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1cc(Br)ccc1C(C)(C)O
InChIInChI=1S/C11H15BrO2/c1-11(2,13)10-5-4-9(12)6-8(10)7-14-3/h4-6,13H,7H2,1-3H3
InChIKeyKDBTVPLFVZXVLU-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.82
Rot. Bonds3

About 2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol

2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol (PubChem CID 117400978) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol
PubChem CID117400978
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1cc(Br)ccc1C(C)(C)O
InChIInChI=1S/C11H15BrO2/c1-11(2,13)10-5-4-9(12)6-8(10)7-14-3/h4-6,13H,7H2,1-3H3
InChIKeyKDBTVPLFVZXVLU-UHFFFAOYSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-bromo-2-(methoxymethyl)phenyl]ethanol
CID 117364057
2-(2-amino-4-bromophenyl)propan-2-ol
CID 57155706
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
methyl 2-[4-bromo-2-(methoxymethyl)phenyl]acetate
CID 141482176
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920
2-(4-bromo-2-trimethylsilyloxyphenyl)propan-2-ol
CID 167719618
ethyl 4-bromo-2-(methoxymethyl)benzoate
CID 141482166
2-(2-amino-5-bromophenyl)propan-2-ol
CID 12042275
4-[1-[4-hydroxy-2-(methoxymethyl)phenyl]-1-phenylethyl]-3-(methoxymethyl)phenol
CID 139534791
2-[4-fluoro-3-(methoxymethyl)phenyl]propan-2-ol
CID 117287840
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117300505
2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117306056

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol (CID 117400978) is 2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol is COCc1cc(Br)ccc1C(C)(C)O.
What is the InChIKey of 2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol?
The InChIKey is KDBTVPLFVZXVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-11(2,13)10-5-4-9(12)6-8(10)7-14-3/h4-6,13H,7H2,1-3H3.
What are the key properties of 2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol?
2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol has a molecular weight of 259.14 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(methoxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117400978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).