(3-amino-5-bromo-4-methoxyphenyl)methanol

C8H10BrNO2 — CID 117100520

IUPAC(3-amino-5-bromo-4-methoxyphenyl)methanol
SMILESCOc1c(N)cc(CO)cc1Br
InChIInChI=1S/C8H10BrNO2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4,10H2,1H3
InChIKeyIYFQLPWJNBMZAG-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.53
Rot. Bonds2

About (3-amino-5-bromo-4-methoxyphenyl)methanol

(3-amino-5-bromo-4-methoxyphenyl)methanol (PubChem CID 117100520) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is (3-amino-5-bromo-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-amino-5-bromo-4-methoxyphenyl)methanol
PubChem CID117100520
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name(3-amino-5-bromo-4-methoxyphenyl)methanol
SMILESCOc1c(N)cc(CO)cc1Br
InChIInChI=1S/C8H10BrNO2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4,10H2,1H3
InChIKeyIYFQLPWJNBMZAG-UHFFFAOYSA-N
XLogP1.53
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-5-bromo-4-methoxyphenyl)ethanone
CID 14734843
[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol
CID 154087943
(4-amino-3-bromo-5-methylphenyl)methanol
CID 134128919
(3-bromo-4-fluoro-5-methoxyphenyl)methanol
CID 84698241
(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793
[3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol
CID 107738736
(4-amino-2-methyl-1-benzothiophen-6-yl)methanol
CID 130788851
[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43622685
methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate
CID 43622677
[3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol
CID 107739092
(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
CID 84710424
[3-bromo-5-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol
CID 112590025

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromo-4-methoxyphenyl)methanol?
The IUPAC name of (3-amino-5-bromo-4-methoxyphenyl)methanol (CID 117100520) is (3-amino-5-bromo-4-methoxyphenyl)methanol.
What is the SMILES notation for (3-amino-5-bromo-4-methoxyphenyl)methanol?
The canonical SMILES for (3-amino-5-bromo-4-methoxyphenyl)methanol is COc1c(N)cc(CO)cc1Br.
What is the InChIKey of (3-amino-5-bromo-4-methoxyphenyl)methanol?
The InChIKey is IYFQLPWJNBMZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4,10H2,1H3.
What are the key properties of (3-amino-5-bromo-4-methoxyphenyl)methanol?
(3-amino-5-bromo-4-methoxyphenyl)methanol has a molecular weight of 232.08 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromo-4-methoxyphenyl)methanol is sourced from PubChem (CID 117100520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).