(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one

C22H20O — CID 92908632

IUPAC(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
SMILESCC(C)c1ccc(/C=C\C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H20O/c1-16(2)18-10-7-17(8-11-18)9-14-22(23)21-13-12-19-5-3-4-6-20(19)15-21/h3-16H,1-2H3/b14-9-
InChIKeyIOZUZUCVUOOSHK-ZROIWOOFSA-N
MW300.40 g/mol
LogP5.86
Rot. Bonds4

About (Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one

(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one (PubChem CID 92908632) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is (Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
PubChem CID92908632
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
SMILESCC(C)c1ccc(/C=C\C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H20O/c1-16(2)18-10-7-17(8-11-18)9-14-22(23)21-13-12-19-5-3-4-6-20(19)15-21/h3-16H,1-2H3/b14-9-
InChIKeyIOZUZUCVUOOSHK-ZROIWOOFSA-N
XLogP5.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296
(E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 21040461
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
(E)-1-(3-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 75359449
(E)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6144622
(E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
CID 6151728
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 89077412
(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 52771858
(E)-3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557389
(E)-1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 39440500
(E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one
CID 146007202

Frequently Asked Questions

What is the IUPAC name of (Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one (CID 92908632) is (Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one is CC(C)c1ccc(/C=C\C(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one?
The InChIKey is IOZUZUCVUOOSHK-ZROIWOOFSA-N. The full InChI is InChI=1S/C22H20O/c1-16(2)18-10-7-17(8-11-18)9-14-22(23)21-13-12-19-5-3-4-6-20(19)15-21/h3-16H,1-2H3/b14-9-.
What are the key properties of (Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one?
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one has a molecular weight of 300.40 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 92908632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).