3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one

C23H15ClO — CID 2795097

IUPAC3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(Cl)cc1)c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C23H15ClO/c24-20-12-5-16(6-13-20)7-14-23(25)19-11-10-18-9-8-17-3-1-2-4-21(17)22(18)15-19/h1-15H
InChIKeyVSUQVHMGSVGZBO-UHFFFAOYSA-N
MW342.83 g/mol
LogP6.54
Rot. Bonds3

About 3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one

3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one (PubChem CID 2795097) has the molecular formula C23H15ClO and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one
PubChem CID2795097
Molecular FormulaC23H15ClO
Molecular Weight342.83 g/mol
Exact Mass342.08
IUPAC Name3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(Cl)cc1)c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C23H15ClO/c24-20-12-5-16(6-13-20)7-14-23(25)19-11-10-18-9-8-17-3-1-2-4-21(17)22(18)15-19/h1-15H
InChIKeyVSUQVHMGSVGZBO-UHFFFAOYSA-N
XLogP6.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', '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
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
2-(4-chlorophenyl)imino-1-phenanthren-3-ylethanone
CID 71393756
[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate
CID 6262781
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
(Z)-3-anthracen-9-yl-1-phenanthren-2-ylprop-2-en-1-one
CID 92909364
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296
(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 52771858
(Z)-4-phenanthren-3-ylbut-3-en-2-one
CID 177398403
4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzoate
CID 7918870
1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 2781337
(E)-3-(3-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5377001

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one (CID 2795097) is 3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one is O=C(C=Cc1ccc(Cl)cc1)c1ccc2ccc3ccccc3c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one?
The InChIKey is VSUQVHMGSVGZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClO/c24-20-12-5-16(6-13-20)7-14-23(25)19-11-10-18-9-8-17-3-1-2-4-21(17)22(18)15-19/h1-15H.
What are the key properties of 3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one?
3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one has a molecular weight of 342.83 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one is sourced from PubChem (CID 2795097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).