(3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone

C18H13IO2 — CID 63491316

IUPAC(3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3cccc(I)c3)ccc2c1
InChIInChI=1S/C18H13IO2/c1-21-17-8-7-12-9-15(6-5-13(12)11-17)18(20)14-3-2-4-16(19)10-14/h2-11H,1H3
InChIKeyNCMQDZGMPYCDPN-UHFFFAOYSA-N
MW388.20 g/mol
LogP4.68
Rot. Bonds3

About (3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone

(3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone (PubChem CID 63491316) has the molecular formula C18H13IO2 and a molecular weight of 388.20 g/mol. Its IUPAC name is (3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
PubChem CID63491316
Molecular FormulaC18H13IO2
Molecular Weight388.20 g/mol
Exact Mass388.00
IUPAC Name(3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3cccc(I)c3)ccc2c1
InChIInChI=1S/C18H13IO2/c1-21-17-8-7-12-9-15(6-5-13(12)11-17)18(20)14-3-2-4-16(19)10-14/h2-11H,1H3
InChIKeyNCMQDZGMPYCDPN-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.20
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone
CID 43337349
(2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491327
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-iodobenzoate
CID 8011111
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 160674185
7-methoxy-3-(6-methoxynaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
CID 54292722
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 2236745

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone?
The IUPAC name of (3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone (CID 63491316) is (3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for (3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for (3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone is COc1ccc2cc(C(=O)c3cccc(I)c3)ccc2c1.
What is the InChIKey of (3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone?
The InChIKey is NCMQDZGMPYCDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13IO2/c1-21-17-8-7-12-9-15(6-5-13(12)11-17)18(20)14-3-2-4-16(19)10-14/h2-11H,1H3.
What are the key properties of (3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone?
(3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone has a molecular weight of 388.20 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 63491316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).