4-(3-bromoprop-2-enoxy)phenol

C9H9BrO2 — CID 139939419

IUPAC4-(3-bromoprop-2-enoxy)phenol
SMILESOc1ccc(OCC=CBr)cc1
InChIInChI=1S/C9H9BrO2/c10-6-1-7-12-9-4-2-8(11)3-5-9/h1-6,11H,7H2
InChIKeyHGOBWPKIQPPNOH-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.68
Rot. Bonds3

About 4-(3-bromoprop-2-enoxy)phenol

4-(3-bromoprop-2-enoxy)phenol (PubChem CID 139939419) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 4-(3-bromoprop-2-enoxy)phenol.

Molecular Properties

Compound Name4-(3-bromoprop-2-enoxy)phenol
PubChem CID139939419
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name4-(3-bromoprop-2-enoxy)phenol
SMILESOc1ccc(OCC=CBr)cc1
InChIInChI=1S/C9H9BrO2/c10-6-1-7-12-9-4-2-8(11)3-5-9/h1-6,11H,7H2
InChIKeyHGOBWPKIQPPNOH-UHFFFAOYSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
phenol;4-prop-2-enoxyphenol
CID 70303777
4-[(4-prop-2-enoxyphenyl)methyl]phenol
CID 68636078
4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol
CID 118013728
4-[2-[4-(3-chloroprop-2-enoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol
CID 139671950
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
[4-[(E)-4-bromobut-2-enoxy]phenyl]-(4-bromophenyl)methanone;(E)-1,4-dibromobut-1-ene
CID 19761058
[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol
CID 19261739
4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol
CID 123766123
4-[9-[4-[(2E,4E)-6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol
CID 118229850
4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline
CID 23321989
1-[(E)-but-2-enoxy]-4-iodobenzene
CID 87803030

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoprop-2-enoxy)phenol?
The IUPAC name of 4-(3-bromoprop-2-enoxy)phenol (CID 139939419) is 4-(3-bromoprop-2-enoxy)phenol.
What is the SMILES notation for 4-(3-bromoprop-2-enoxy)phenol?
The canonical SMILES for 4-(3-bromoprop-2-enoxy)phenol is Oc1ccc(OCC=CBr)cc1.
What is the InChIKey of 4-(3-bromoprop-2-enoxy)phenol?
The InChIKey is HGOBWPKIQPPNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c10-6-1-7-12-9-4-2-8(11)3-5-9/h1-6,11H,7H2.
What are the key properties of 4-(3-bromoprop-2-enoxy)phenol?
4-(3-bromoprop-2-enoxy)phenol has a molecular weight of 229.07 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoprop-2-enoxy)phenol is sourced from PubChem (CID 139939419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).