(E)-1-(2-hydroxyphenyl)dodec-2-en-1-one

C18H26O2 — CID 14840067

IUPAC(E)-1-(2-hydroxyphenyl)dodec-2-en-1-one
SMILESCCCCCCCCC/C=C/C(=O)c1ccccc1O
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-14-17(19)16-13-11-12-15-18(16)20/h10-15,20H,2-9H2,1H3/b14-10+
InChIKeyXNKFXSWOXHIREG-GXDHUFHOSA-N
MW274.40 g/mol
LogP5.27
Rot. Bonds10

About (E)-1-(2-hydroxyphenyl)dodec-2-en-1-one

(E)-1-(2-hydroxyphenyl)dodec-2-en-1-one (PubChem CID 14840067) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (E)-1-(2-hydroxyphenyl)dodec-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-hydroxyphenyl)dodec-2-en-1-one
PubChem CID14840067
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(E)-1-(2-hydroxyphenyl)dodec-2-en-1-one
SMILESCCCCCCCCC/C=C/C(=O)c1ccccc1O
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-14-17(19)16-13-11-12-15-18(16)20/h10-15,20H,2-9H2,1H3/b14-10+
InChIKeyXNKFXSWOXHIREG-GXDHUFHOSA-N
XLogP5.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.40
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 175447632
CID 175447632
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(E)-1-(1H-indol-3-yl)non-2-en-1-one
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(E)-1-(2-methoxyphenyl)hept-2-en-1-one
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CID 161423500
1-(2-methylphenyl)hex-2-en-1-one
CID 66890387
phenyl (E)-triacont-2-enoate
CID 23321595
N-phenyldec-2-enamide
CID 72974313
(E)-1-(4-bromophenyl)dec-2-en-1-one
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phenyl docos-2-enoate
CID 54459055

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-hydroxyphenyl)dodec-2-en-1-one?
The IUPAC name of (E)-1-(2-hydroxyphenyl)dodec-2-en-1-one (CID 14840067) is (E)-1-(2-hydroxyphenyl)dodec-2-en-1-one.
What is the SMILES notation for (E)-1-(2-hydroxyphenyl)dodec-2-en-1-one?
The canonical SMILES for (E)-1-(2-hydroxyphenyl)dodec-2-en-1-one is CCCCCCCCC/C=C/C(=O)c1ccccc1O.
What is the InChIKey of (E)-1-(2-hydroxyphenyl)dodec-2-en-1-one?
The InChIKey is XNKFXSWOXHIREG-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-14-17(19)16-13-11-12-15-18(16)20/h10-15,20H,2-9H2,1H3/b14-10+.
What are the key properties of (E)-1-(2-hydroxyphenyl)dodec-2-en-1-one?
(E)-1-(2-hydroxyphenyl)dodec-2-en-1-one has a molecular weight of 274.40 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-hydroxyphenyl)dodec-2-en-1-one is sourced from PubChem (CID 14840067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).