(Z)-1-(3-hydroxyphenyl)non-1-en-3-one

C15H20O2 — CID 92528645

IUPAC(Z)-1-(3-hydroxyphenyl)non-1-en-3-one
SMILESCCCCCCC(=O)/C=C\c1cccc(O)c1
InChIInChI=1S/C15H20O2/c1-2-3-4-5-8-14(16)11-10-13-7-6-9-15(17)12-13/h6-7,9-12,17H,2-5,8H2,1H3/b11-10-
InChIKeyVHDCFLKVSUAWNU-KHPPLWFESA-N
MW232.32 g/mol
LogP3.94
Rot. Bonds7

About (Z)-1-(3-hydroxyphenyl)non-1-en-3-one

(Z)-1-(3-hydroxyphenyl)non-1-en-3-one (PubChem CID 92528645) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (Z)-1-(3-hydroxyphenyl)non-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-(3-hydroxyphenyl)non-1-en-3-one
PubChem CID92528645
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(Z)-1-(3-hydroxyphenyl)non-1-en-3-one
SMILESCCCCCCC(=O)/C=C\c1cccc(O)c1
InChIInChI=1S/C15H20O2/c1-2-3-4-5-8-14(16)11-10-13-7-6-9-15(17)12-13/h6-7,9-12,17H,2-5,8H2,1H3/b11-10-
InChIKeyVHDCFLKVSUAWNU-KHPPLWFESA-N
XLogP3.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.94
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

(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
1-phenylundec-1-en-3-one
CID 3805572
(E)-1-(3-methylphenyl)hept-1-en-3-one
CID 102346622
6-(3-hydroxyphenyl)-4-oxohex-5-enoic acid
CID 2797782
pentyl (E)-3-(3-hydroxyphenyl)prop-2-enoate
CID 134086980
(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
CID 97304849
(E)-1-pyridin-3-yloct-1-en-3-one
CID 70109374
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
(1E,3E)-1-phenylundeca-1,3-dien-5-one
CID 5373541
3-[(1E,4E)-pentadeca-1,4-dienyl]phenol
CID 101292637
benzene-1,3-diol;decanoic acid
CID 175490572
3-[(E)-hex-1-enyl]phenol
CID 121007177

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-hydroxyphenyl)non-1-en-3-one?
The IUPAC name of (Z)-1-(3-hydroxyphenyl)non-1-en-3-one (CID 92528645) is (Z)-1-(3-hydroxyphenyl)non-1-en-3-one.
What is the SMILES notation for (Z)-1-(3-hydroxyphenyl)non-1-en-3-one?
The canonical SMILES for (Z)-1-(3-hydroxyphenyl)non-1-en-3-one is CCCCCCC(=O)/C=C\c1cccc(O)c1.
What is the InChIKey of (Z)-1-(3-hydroxyphenyl)non-1-en-3-one?
The InChIKey is VHDCFLKVSUAWNU-KHPPLWFESA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-4-5-8-14(16)11-10-13-7-6-9-15(17)12-13/h6-7,9-12,17H,2-5,8H2,1H3/b11-10-.
What are the key properties of (Z)-1-(3-hydroxyphenyl)non-1-en-3-one?
(Z)-1-(3-hydroxyphenyl)non-1-en-3-one has a molecular weight of 232.32 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-hydroxyphenyl)non-1-en-3-one is sourced from PubChem (CID 92528645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).