(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol

C10H13BrO3 — CID 84710424

IUPAC(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
SMILESCOc1c(Br)cc(CO)c(C)c1OC
InChIInChI=1S/C10H13BrO3/c1-6-7(5-12)4-8(11)10(14-3)9(6)13-2/h4,12H,5H2,1-3H3
InChIKeyKELDVDHEPAAMMP-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.27
Rot. Bonds3

About (5-bromo-3,4-dimethoxy-2-methylphenyl)methanol

(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol (PubChem CID 84710424) has the molecular formula C10H13BrO3 and a molecular weight of 261.11 g/mol. Its IUPAC name is (5-bromo-3,4-dimethoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
PubChem CID84710424
Molecular FormulaC10H13BrO3
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
SMILESCOc1c(Br)cc(CO)c(C)c1OC
InChIInChI=1S/C10H13BrO3/c1-6-7(5-12)4-8(11)10(14-3)9(6)13-2/h4,12H,5H2,1-3H3
InChIKeyKELDVDHEPAAMMP-UHFFFAOYSA-N
XLogP2.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid
CID 117466771
(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol
CID 84682296
5-(hydroxymethyl)-3-methoxy-4-methylbenzene-1,2-diol
CID 91826699
5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol
CID 102196644
(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977
(5-bromo-2-methoxy-3-methylphenyl)methanol
CID 58993702
[1-(5-bromo-3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-yl]-hydroxy-diphenylsilane
CID 89128924
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842
(4-chloro-2-methoxy-3,5-dimethylphenyl)methanol
CID 84669757
2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117488210
1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117483351
N-[(5-bromo-2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 96709381

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3,4-dimethoxy-2-methylphenyl)methanol?
The IUPAC name of (5-bromo-3,4-dimethoxy-2-methylphenyl)methanol (CID 84710424) is (5-bromo-3,4-dimethoxy-2-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-3,4-dimethoxy-2-methylphenyl)methanol?
The canonical SMILES for (5-bromo-3,4-dimethoxy-2-methylphenyl)methanol is COc1c(Br)cc(CO)c(C)c1OC.
What is the InChIKey of (5-bromo-3,4-dimethoxy-2-methylphenyl)methanol?
The InChIKey is KELDVDHEPAAMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-6-7(5-12)4-8(11)10(14-3)9(6)13-2/h4,12H,5H2,1-3H3.
What are the key properties of (5-bromo-3,4-dimethoxy-2-methylphenyl)methanol?
(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol has a molecular weight of 261.11 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3,4-dimethoxy-2-methylphenyl)methanol is sourced from PubChem (CID 84710424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).