(2,5-dichlorophenyl)-naphthalen-1-ylmethanone

C17H10Cl2O — CID 43167267

IUPAC(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
SMILESO=C(c1cc(Cl)ccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C17H10Cl2O/c18-12-8-9-16(19)15(10-12)17(20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H
InChIKeyNZFAWJMFKBNNHS-UHFFFAOYSA-N
MW301.17 g/mol
LogP5.38
Rot. Bonds2

About (2,5-dichlorophenyl)-naphthalen-1-ylmethanone

(2,5-dichlorophenyl)-naphthalen-1-ylmethanone (PubChem CID 43167267) has the molecular formula C17H10Cl2O and a molecular weight of 301.17 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
PubChem CID43167267
Molecular FormulaC17H10Cl2O
Molecular Weight301.17 g/mol
Exact Mass300.01
IUPAC Name(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
SMILESO=C(c1cc(Cl)ccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C17H10Cl2O/c18-12-8-9-16(19)15(10-12)17(20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H
InChIKeyNZFAWJMFKBNNHS-UHFFFAOYSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.17
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dichloro-N-naphthalen-1-ylbenzamide
CID 2166526
[4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone
CID 58922083
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
(5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone
CID 114885039
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
bis(5-chloroanthracen-1-yl)methanone
CID 175330463
(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
CID 106647466
6-chloronaphthalene-1-carboxylic acid
CID 13288328
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
naphthalene-1-carbonyl iodide
CID 87393513
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-naphthalen-1-ylmethanone?
The IUPAC name of (2,5-dichlorophenyl)-naphthalen-1-ylmethanone (CID 43167267) is (2,5-dichlorophenyl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (2,5-dichlorophenyl)-naphthalen-1-ylmethanone?
The canonical SMILES for (2,5-dichlorophenyl)-naphthalen-1-ylmethanone is O=C(c1cc(Cl)ccc1Cl)c1cccc2ccccc12.
What is the InChIKey of (2,5-dichlorophenyl)-naphthalen-1-ylmethanone?
The InChIKey is NZFAWJMFKBNNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2O/c18-12-8-9-16(19)15(10-12)17(20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H.
What are the key properties of (2,5-dichlorophenyl)-naphthalen-1-ylmethanone?
(2,5-dichlorophenyl)-naphthalen-1-ylmethanone has a molecular weight of 301.17 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 43167267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).