(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone

C18H13IO — CID 81430773

IUPAC(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1ccccc1I
InChIInChI=1S/C18H13IO/c1-12-10-11-13-6-2-3-7-14(13)17(12)18(20)15-8-4-5-9-16(15)19/h2-11H,1H3
InChIKeyVJQQZIDEVPKDSK-UHFFFAOYSA-N
MW372.21 g/mol
LogP4.98
Rot. Bonds2

About (2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone

(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone (PubChem CID 81430773) has the molecular formula C18H13IO and a molecular weight of 372.21 g/mol. Its IUPAC name is (2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone
PubChem CID81430773
Molecular FormulaC18H13IO
Molecular Weight372.21 g/mol
Exact Mass372.00
IUPAC Name(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1ccccc1I
InChIInChI=1S/C18H13IO/c1-12-10-11-13-6-2-3-7-14(13)17(12)18(20)15-8-4-5-9-16(15)19/h2-11H,1H3
InChIKeyVJQQZIDEVPKDSK-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107981732
(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107949988
(3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 115937369
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430855
(2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43337332
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557
1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone
CID 81428930
2-methyl-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 15828026
[4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone
CID 141279941
(2-amino-6-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430902

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone?
The IUPAC name of (2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone (CID 81430773) is (2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone is Cc1ccc2ccccc2c1C(=O)c1ccccc1I.
What is the InChIKey of (2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone?
The InChIKey is VJQQZIDEVPKDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13IO/c1-12-10-11-13-6-2-3-7-14(13)17(12)18(20)15-8-4-5-9-16(15)19/h2-11H,1H3.
What are the key properties of (2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone?
(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone has a molecular weight of 372.21 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 81430773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).