(3-bromophenyl)-ethoxymethanol

C9H11BrO2 — CID 142187361

IUPAC(3-bromophenyl)-ethoxymethanol
SMILESCCOC(O)c1cccc(Br)c1
InChIInChI=1S/C9H11BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3
InChIKeyACMLIRVTJXMCAK-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.48
Rot. Bonds3

About (3-bromophenyl)-ethoxymethanol

(3-bromophenyl)-ethoxymethanol (PubChem CID 142187361) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is (3-bromophenyl)-ethoxymethanol.

Molecular Properties

Compound Name(3-bromophenyl)-ethoxymethanol
PubChem CID142187361
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name(3-bromophenyl)-ethoxymethanol
SMILESCCOC(O)c1cccc(Br)c1
InChIInChI=1S/C9H11BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3
InChIKeyACMLIRVTJXMCAK-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3-bromophenyl)-ethoxyphosphanylmethanol
CID 70811233
(R)-(3-bromophenyl)-diethoxyphosphorylmethanol
CID 129391567
1-(3-bromophenyl)butan-1-ol
CID 18417756
(3-bromophenyl)-(4-ethoxyphenyl)methanol
CID 46205463
2-(3-bromophenyl)pentan-3-ol
CID 79298699
(5-bromo-2-ethoxyphenyl)-(3-bromophenyl)methanol
CID 61082247
1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol
CID 65187712
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
ethyl 3-amino-3-(3-bromophenyl)propanoate;hydrochloride
CID 130177192
1-(3-bromophenyl)-3-methylidenepentan-1-ol
CID 66044340
(3-bromophenyl)-(2-ethylphenyl)methanol
CID 91657859
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-ethoxymethanol?
The IUPAC name of (3-bromophenyl)-ethoxymethanol (CID 142187361) is (3-bromophenyl)-ethoxymethanol.
What is the SMILES notation for (3-bromophenyl)-ethoxymethanol?
The canonical SMILES for (3-bromophenyl)-ethoxymethanol is CCOC(O)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-ethoxymethanol?
The InChIKey is ACMLIRVTJXMCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3.
What are the key properties of (3-bromophenyl)-ethoxymethanol?
(3-bromophenyl)-ethoxymethanol has a molecular weight of 231.09 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-ethoxymethanol is sourced from PubChem (CID 142187361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).