(Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol

C20H24O3 — CID 142102449

IUPAC(Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol
SMILESCC(C)(C)c1ccc(C(=O)/C=C(\O)c2ccccc2)cc1.CO
InChIInChI=1S/C19H20O2.CH4O/c1-19(2,3)16-11-9-15(10-12-16)18(21)13-17(20)14-7-5-4-6-8-14;1-2/h4-13,20H,1-3H3;2H,1H3/b17-13-;
InChIKeyALVSTRUJACCJMM-VSORCOHTSA-N
MW312.41 g/mol
LogP4.37
Rot. Bonds3

About (Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol

(Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol (PubChem CID 142102449) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol.

Molecular Properties

Compound Name(Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol
PubChem CID142102449
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol
SMILESCC(C)(C)c1ccc(C(=O)/C=C(\O)c2ccccc2)cc1.CO
InChIInChI=1S/C19H20O2.CH4O/c1-19(2,3)16-11-9-15(10-12-16)18(21)13-17(20)14-7-5-4-6-8-14;1-2/h4-13,20H,1-3H3;2H,1H3/b17-13-;
InChIKeyALVSTRUJACCJMM-VSORCOHTSA-N
XLogP4.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(4-tert-butylphenyl)-3-[4-[(Z)-3-(4-tert-butylphenyl)-1-hydroxy-3-oxoprop-1-enyl]phenyl]-3-hydroxyprop-2-en-1-one
CID 122387607
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
(Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-one;ethane
CID 145267325
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);titanium;dihydrate
CID 6477791
3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 3102941
3-(4-tert-butylphenyl)-3-ethylsulfanyl-1-phenylprop-2-en-1-one
CID 171474608
CID 6477793
CID 6477793
(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
CID 6156309
(Z)-3-hydroxy-1-[4-[13-[4-[(E)-3-hydroxy-3-phenylprop-2-enoyl]phenyl]tridecyl]phenyl]-3-phenylprop-2-en-1-one
CID 21160370
3-hydroxy-1,3-bis(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one
CID 101012654
4-hydroxy-4-[4-(1,2,2-triphenylethenyl)phenyl]but-3-en-2-one
CID 175049722
2-[4-[(Z)-3-hydroxy-3-phenylprop-2-enoyl]phenoxy]ethyl 2-bromo-2-methylpropanoate
CID 101196736

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol?
The IUPAC name of (Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol (CID 142102449) is (Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol.
What is the SMILES notation for (Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol?
The canonical SMILES for (Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol is CC(C)(C)c1ccc(C(=O)/C=C(\O)c2ccccc2)cc1.CO.
What is the InChIKey of (Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol?
The InChIKey is ALVSTRUJACCJMM-VSORCOHTSA-N. The full InChI is InChI=1S/C19H20O2.CH4O/c1-19(2,3)16-11-9-15(10-12-16)18(21)13-17(20)14-7-5-4-6-8-14;1-2/h4-13,20H,1-3H3;2H,1H3/b17-13-;.
What are the key properties of (Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol?
(Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol has a molecular weight of 312.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol is sourced from PubChem (CID 142102449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).