2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol

C11H13BrO — CID 117354295

IUPAC2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol
SMILESC=C(C)c1cc(Br)cc(CCO)c1
InChIInChI=1S/C11H13BrO/c1-8(2)10-5-9(3-4-13)6-11(12)7-10/h5-7,13H,1,3-4H2,2H3
InChIKeyYBTCNDNTXXEOTB-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.02
Rot. Bonds3

About 2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol

2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol (PubChem CID 117354295) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol
PubChem CID117354295
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol
SMILESC=C(C)c1cc(Br)cc(CCO)c1
InChIInChI=1S/C11H13BrO/c1-8(2)10-5-9(3-4-13)6-11(12)7-10/h5-7,13H,1,3-4H2,2H3
InChIKeyYBTCNDNTXXEOTB-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-5-prop-1-en-2-ylphenyl)propanal
CID 117385056
O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine
CID 117393277
2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane
CID 162439412
1-(3-bromo-5-prop-1-en-2-ylphenyl)-N-methoxymethanamine
CID 117393283
1-bromo-3-tert-butyl-5-prop-1-en-2-ylbenzene
CID 86719126
N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine
CID 18509445
2-(3-bromophenyl)ethanol
CID 2734090
1-prop-1-en-2-yl-3-propylbenzene
CID 22486655
3-bromo-5-prop-1-en-2-ylpyridine
CID 86707020
3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine
CID 117299694
3-bromo-5-(2-oxopropyl)benzoic acid
CID 130980165
(3,5-dibromophenyl)methanol;ethane
CID 144557111

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol (CID 117354295) is 2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol is C=C(C)c1cc(Br)cc(CCO)c1.
What is the InChIKey of 2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol?
The InChIKey is YBTCNDNTXXEOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-8(2)10-5-9(3-4-13)6-11(12)7-10/h5-7,13H,1,3-4H2,2H3.
What are the key properties of 2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol?
2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol has a molecular weight of 241.13 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol is sourced from PubChem (CID 117354295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).