1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one

C19H15ClO — CID 90865264

IUPAC1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H15ClO/c20-18-9-6-14(7-10-18)12-19(21)13-15-5-8-16-3-1-2-4-17(16)11-15/h1-11H,12-13H2
InChIKeyBNNORJCRIDCRJR-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.85
Rot. Bonds4

About 1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one

1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one (PubChem CID 90865264) has the molecular formula C19H15ClO and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
PubChem CID90865264
Molecular FormulaC19H15ClO
Molecular Weight294.78 g/mol
Exact Mass294.08
IUPAC Name1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H15ClO/c20-18-9-6-14(7-10-18)12-19(21)13-15-5-8-16-3-1-2-4-17(16)11-15/h1-11H,12-13H2
InChIKeyBNNORJCRIDCRJR-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
CID 63528200
1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one
CID 105107606
1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one
CID 157438044
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
CID 63528199
CID 173442082
CID 173442082
sodium 2-naphthalen-2-ylacetate
CID 23688045
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
iodo 2-naphthalen-2-ylacetate
CID 129274840
1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea
CID 9469008

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one (CID 90865264) is 1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one is O=C(Cc1ccc(Cl)cc1)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one?
The InChIKey is BNNORJCRIDCRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO/c20-18-9-6-14(7-10-18)12-19(21)13-15-5-8-16-3-1-2-4-17(16)11-15/h1-11H,12-13H2.
What are the key properties of 1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one?
1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one has a molecular weight of 294.78 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one is sourced from PubChem (CID 90865264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).