(E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one

C25H22O — CID 21040461

IUPAC(E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
SMILESCC(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1
InChIInChI=1S/C25H22O/c1-17(2)19-10-7-18(8-11-19)9-14-25(26)21-12-13-24-22(16-21)15-20-5-3-4-6-23(20)24/h3-14,16-17H,15H2,1-2H3/b14-9+
InChIKeyPBXOYKIGWGGFIN-NTEUORMPSA-N
MW338.45 g/mol
LogP6.28
Rot. Bonds4

About (E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one

(E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one (PubChem CID 21040461) has the molecular formula C25H22O and a molecular weight of 338.45 g/mol. Its IUPAC name is (E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
PubChem CID21040461
Molecular FormulaC25H22O
Molecular Weight338.45 g/mol
Exact Mass338.17
IUPAC Name(E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
SMILESCC(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1
InChIInChI=1S/C25H22O/c1-17(2)19-10-7-18(8-11-19)9-14-25(26)21-12-13-24-22(16-21)15-20-5-3-4-6-23(20)24/h3-14,16-17H,15H2,1-2H3/b14-9+
InChIKeyPBXOYKIGWGGFIN-NTEUORMPSA-N
XLogP6.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.28
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

(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
(E)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6144622
(E)-1-(3-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 75359449
(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-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
(E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557392
10H-anthracen-9-one;(E)-1,3-diphenylprop-2-en-1-one
CID 158511219
(2E)-1-(9H-fluoren-2-yl)-2-hydrazinylideneethanone
CID 43835389
N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide
CID 91823894
[4-[3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl] 2-chlorobenzoate
CID 3535190

Frequently Asked Questions

What is the IUPAC name of (E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one (CID 21040461) is (E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one is CC(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1.
What is the InChIKey of (E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one?
The InChIKey is PBXOYKIGWGGFIN-NTEUORMPSA-N. The full InChI is InChI=1S/C25H22O/c1-17(2)19-10-7-18(8-11-19)9-14-25(26)21-12-13-24-22(16-21)15-20-5-3-4-6-23(20)24/h3-14,16-17H,15H2,1-2H3/b14-9+.
What are the key properties of (E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one?
(E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one has a molecular weight of 338.45 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(9H-fluoren-2-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 21040461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).