(Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate

C23H30O5 — CID 139195469

IUPAC(Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate
SMILESCC(=O)/C=C(/C)O.O.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
InChIInChI=1S/C18H20O2.C5H8O2.H2O/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-4(6)3-5(2)7;/h4-11,19-20H,1-3,12-13H2;3,6H,1-2H3;1H2/b;4-3-;
InChIKeyWNFWZWYSTNFAOL-LWFKIUJUSA-N
MW386.49 g/mol
LogP4.56
Rot. Bonds3

About (Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate

(Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate (PubChem CID 139195469) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate
PubChem CID139195469
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate
SMILESCC(=O)/C=C(/C)O.O.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
InChIInChI=1S/C18H20O2.C5H8O2.H2O/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-4(6)3-5(2)7;/h4-11,19-20H,1-3,12-13H2;3,6H,1-2H3;1H2/b;4-3-;
InChIKeyWNFWZWYSTNFAOL-LWFKIUJUSA-N
XLogP4.56
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
CID 59289752
4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane
CID 67945027
3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 139063676
2-[4-[1-(4-hydroxyphenyl)cyclohexyl]phenoxy]-2-methylbutanoic acid
CID 131877413
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate
CID 22836474
tris(4-hydroxypent-3-en-2-one);thulium;hydrate
CID 146157253
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one
CID 138403046
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate?
The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate (CID 139195469) is (Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate.
What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate is CC(=O)/C=C(/C)O.O.Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate?
The InChIKey is WNFWZWYSTNFAOL-LWFKIUJUSA-N. The full InChI is InChI=1S/C18H20O2.C5H8O2.H2O/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;1-4(6)3-5(2)7;/h4-11,19-20H,1-3,12-13H2;3,6H,1-2H3;1H2/b;4-3-;.
What are the key properties of (Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate?
(Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate has a molecular weight of 386.49 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate is sourced from PubChem (CID 139195469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).