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

C18H18O — CID 146007202

IUPAC(E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one
SMILESCC(C)c1cccc(C(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C18H18O/c1-14(2)16-9-6-10-17(13-16)18(19)12-11-15-7-4-3-5-8-15/h3-14H,1-2H3/b12-11+
InChIKeyPKGWSYDSROLNJT-VAWYXSNFSA-N
MW250.34 g/mol
LogP4.71
Rot. Bonds4

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

(E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one (PubChem CID 146007202) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is (E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one
PubChem CID146007202
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name(E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one
SMILESCC(C)c1cccc(C(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C18H18O/c1-14(2)16-9-6-10-17(13-16)18(19)12-11-15-7-4-3-5-8-15/h3-14H,1-2H3/b12-11+
InChIKeyPKGWSYDSROLNJT-VAWYXSNFSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.71
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

1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
(E)-1-(3-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 75359449
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 67385176
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one
CID 161243705
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one (CID 146007202) is (E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one is CC(C)c1cccc(C(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one?
The InChIKey is PKGWSYDSROLNJT-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H18O/c1-14(2)16-9-6-10-17(13-16)18(19)12-11-15-7-4-3-5-8-15/h3-14H,1-2H3/b12-11+.
What are the key properties of (E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one?
(E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 146007202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).