2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one

C16H18O2 — CID 102076524

IUPAC2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one
SMILESO=C1CCCC=C1CC(O)/C=C/c1ccccc1
InChIInChI=1S/C16H18O2/c17-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)18/h1-3,6-8,10-11,15,17H,4-5,9,12H2/b11-10+
InChIKeyOISJHSSNAMPKQR-ZHACJKMWSA-N
MW242.32 g/mol
LogP3.13
Rot. Bonds4

About 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one

2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one (PubChem CID 102076524) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one
PubChem CID102076524
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one
SMILESO=C1CCCC=C1CC(O)/C=C/c1ccccc1
InChIInChI=1S/C16H18O2/c17-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)18/h1-3,6-8,10-11,15,17H,4-5,9,12H2/b11-10+
InChIKeyOISJHSSNAMPKQR-ZHACJKMWSA-N
XLogP3.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one?
The IUPAC name of 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one (CID 102076524) is 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one.
What is the SMILES notation for 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one?
The canonical SMILES for 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one is O=C1CCCC=C1CC(O)/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one?
The InChIKey is OISJHSSNAMPKQR-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H18O2/c17-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)18/h1-3,6-8,10-11,15,17H,4-5,9,12H2/b11-10+.
What are the key properties of 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one?
2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one has a molecular weight of 242.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-hydroxy-4-phenylbut-3-enyl]cyclohex-2-en-1-one is sourced from PubChem (CID 102076524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).