1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone

C18H18O2 — CID 11323090

IUPAC1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C/CC(O)c2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-14(19)16-12-10-15(11-13-16)6-5-9-18(20)17-7-3-2-4-8-17/h2-8,10-13,18,20H,9H2,1H3/b6-5+
InChIKeyUJMXJXZFVQXQLM-AATRIKPKSA-N
MW266.34 g/mol
LogP4.03
Rot. Bonds5

About 1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone

1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone (PubChem CID 11323090) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone
PubChem CID11323090
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C/CC(O)c2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-14(19)16-12-10-15(11-13-16)6-5-9-18(20)17-7-3-2-4-8-17/h2-8,10-13,18,20H,9H2,1H3/b6-5+
InChIKeyUJMXJXZFVQXQLM-AATRIKPKSA-N
XLogP4.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone
CID 10633570
(3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol
CID 162404587
1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
CID 135007292
(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol
CID 10729956
(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
CID 46928519
1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
CID 11230907
(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
CID 135057186
[(Z)-4-hydroxy-4-phenylbut-1-enyl] 2,2-dimethylpropanoate
CID 101384599
(E)-1,5-diphenylpent-3-en-1-ol
CID 11230156
(E)-4-chloro-1-phenylbut-3-en-1-ol
CID 11240835
(E,1S)-4-fluoro-1-phenylbut-3-en-1-ol
CID 124567652
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone (CID 11323090) is 1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone is CC(=O)c1ccc(/C=C/CC(O)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone?
The InChIKey is UJMXJXZFVQXQLM-AATRIKPKSA-N. The full InChI is InChI=1S/C18H18O2/c1-14(19)16-12-10-15(11-13-16)6-5-9-18(20)17-7-3-2-4-8-17/h2-8,10-13,18,20H,9H2,1H3/b6-5+.
What are the key properties of 1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone?
1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone is sourced from PubChem (CID 11323090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).