3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol

C10H11BrO2 — CID 170733665

IUPAC3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol
SMILESCC(O)/C=C/c1c(O)cccc1Br
InChIInChI=1S/C10H11BrO2/c1-7(12)5-6-8-9(11)3-2-4-10(8)13/h2-7,12-13H,1H3/b6-5+
InChIKeyUYCPTNJSMUBUHR-AATRIKPKSA-N
MW243.10 g/mol
LogP2.55
Rot. Bonds2

About 3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol

3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol (PubChem CID 170733665) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol.

Molecular Properties

Compound Name3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol
PubChem CID170733665
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol
SMILESCC(O)/C=C/c1c(O)cccc1Br
InChIInChI=1S/C10H11BrO2/c1-7(12)5-6-8-9(11)3-2-4-10(8)13/h2-7,12-13H,1H3/b6-5+
InChIKeyUYCPTNJSMUBUHR-AATRIKPKSA-N
XLogP2.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-2-methylphenol
CID 16896
4-Bromo-2-methoxybenzyl alcohol
CID 15128243
5-Bromo-2-hydroxybenzyl alcohol
CID 75342
1-(2-Bromophenyl)ethanol
CID 95455
4-Bromo-2-ethylphenol
CID 87877
2-Allyl-4-bromophenol
CID 258468
3-Bromo-2-methylphenol
CID 11171430
(R)-1-(2-bromophenyl)ethanol
CID 2734868
1-(2-Bromophenyl)ethan-1-ol
CID 6950331
3-Bromo-4-methylphenol
CID 10307913
5-Bromo-2-methylphenol
CID 12648404
Stilbene, 2-hydroxy-4'-bromo-
CID 5377972

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol?
The IUPAC name of 3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol (CID 170733665) is 3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol.
What is the SMILES notation for 3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol?
The canonical SMILES for 3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol is CC(O)/C=C/c1c(O)cccc1Br.
What is the InChIKey of 3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol?
The InChIKey is UYCPTNJSMUBUHR-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-7(12)5-6-8-9(11)3-2-4-10(8)13/h2-7,12-13H,1H3/b6-5+.
What are the key properties of 3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol?
3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol has a molecular weight of 243.10 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(E)-3-hydroxybut-1-enyl]phenol is sourced from PubChem (CID 170733665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).