(3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone

C19H15ClO — CID 107096188

IUPAC(3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1ccc(C)c2ccccc12
InChIInChI=1S/C19H15ClO/c1-12-10-11-17(16-7-4-3-6-14(12)16)19(21)15-8-5-9-18(20)13(15)2/h3-11H,1-2H3
InChIKeyMDLFWDMFHIFTPX-UHFFFAOYSA-N
MW294.78 g/mol
LogP5.34
Rot. Bonds2

About (3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone

(3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone (PubChem CID 107096188) has the molecular formula C19H15ClO and a molecular weight of 294.78 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone
PubChem CID107096188
Molecular FormulaC19H15ClO
Molecular Weight294.78 g/mol
Exact Mass294.08
IUPAC Name(3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1ccc(C)c2ccccc12
InChIInChI=1S/C19H15ClO/c1-12-10-11-17(16-7-4-3-6-14(12)16)19(21)15-8-5-9-18(20)13(15)2/h3-11H,1-2H3
InChIKeyMDLFWDMFHIFTPX-UHFFFAOYSA-N
XLogP5.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.78
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79803418
(3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432923
(3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone
CID 146005790
(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone
CID 79591122
(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 79591384
(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 107100346
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821
(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 25257909
(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591374
4-methylnaphthalene-1-carboxylate;thallium(1+)
CID 22604806
(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960063
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone (CID 107096188) is (3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone is Cc1c(Cl)cccc1C(=O)c1ccc(C)c2ccccc12.
What is the InChIKey of (3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone?
The InChIKey is MDLFWDMFHIFTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO/c1-12-10-11-17(16-7-4-3-6-14(12)16)19(21)15-8-5-9-18(20)13(15)2/h3-11H,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone?
(3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone has a molecular weight of 294.78 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 107096188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).