3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one

C18H18O2 — CID 3102941

IUPAC3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one
SMILESCC(C)c1ccc(C(=O)C=C(O)c2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-13(2)14-8-10-16(11-9-14)18(20)12-17(19)15-6-4-3-5-7-15/h3-13,19H,1-2H3
InChIKeyXXXPDVBEABWMIF-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.59
Rot. Bonds4

About 3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one

3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one (PubChem CID 3102941) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one
PubChem CID3102941
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one
SMILESCC(C)c1ccc(C(=O)C=C(O)c2ccccc2)cc1
InChIInChI=1S/C18H18O2/c1-13(2)14-8-10-16(11-9-14)18(20)12-17(19)15-6-4-3-5-7-15/h3-13,19H,1-2H3
InChIKeyXXXPDVBEABWMIF-UHFFFAOYSA-N
XLogP4.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 98470060
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);titanium;dihydrate
CID 6477791
(Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol
CID 142102449
CID 6477793
CID 6477793
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
(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
(E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557241
3-hydroxy-1,3-bis(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one
CID 101012654
(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
4-hydroxy-4-[4-(1,2,2-triphenylethenyl)phenyl]but-3-en-2-one
CID 175049722
(E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide
CID 71654019

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one?
The IUPAC name of 3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one (CID 3102941) is 3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one is CC(C)c1ccc(C(=O)C=C(O)c2ccccc2)cc1.
What is the InChIKey of 3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one?
The InChIKey is XXXPDVBEABWMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13(2)14-8-10-16(11-9-14)18(20)12-17(19)15-6-4-3-5-7-15/h3-13,19H,1-2H3.
What are the key properties of 3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one?
3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 3102941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).