1-iodo-2-(4-methylphenyl)acenaphthylene

C19H13I — CID 132837531

IUPAC1-iodo-2-(4-methylphenyl)acenaphthylene
SMILESCc1ccc(C2=C(I)c3cccc4cccc2c34)cc1
InChIInChI=1S/C19H13I/c1-12-8-10-14(11-9-12)18-15-6-2-4-13-5-3-7-16(17(13)15)19(18)20/h2-11H,1H3
InChIKeyBXSPZOTVWMJMII-UHFFFAOYSA-N
MW368.22 g/mol
LogP5.81
Rot. Bonds1

About 1-iodo-2-(4-methylphenyl)acenaphthylene

1-iodo-2-(4-methylphenyl)acenaphthylene (PubChem CID 132837531) has the molecular formula C19H13I and a molecular weight of 368.22 g/mol. Its IUPAC name is 1-iodo-2-(4-methylphenyl)acenaphthylene.

Molecular Properties

Compound Name1-iodo-2-(4-methylphenyl)acenaphthylene
PubChem CID132837531
Molecular FormulaC19H13I
Molecular Weight368.22 g/mol
Exact Mass368.01
IUPAC Name1-iodo-2-(4-methylphenyl)acenaphthylene
SMILESCc1ccc(C2=C(I)c3cccc4cccc2c34)cc1
InChIInChI=1S/C19H13I/c1-12-8-10-14(11-9-12)18-15-6-2-4-13-5-3-7-16(17(13)15)19(18)20/h2-11H,1H3
InChIKeyBXSPZOTVWMJMII-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.22
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline
CID 102433569
1,2-bis(4-fluorophenyl)acenaphthylene
CID 23635200
fluoranthene;toluene
CID 173324369
4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline
CID 169016081
4-[4-[8-(4-methylphenyl)naphthalen-1-yl]phenyl]benzonitrile
CID 155443203
7,10-dimethyl-8-(4-methylphenyl)fluoranthene
CID 12713914
7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene
CID 158890209
1,3-diiodo-2-(4-methylphenyl)benzene
CID 23202442
5,7-bis(4-methylphenyl)-6-oxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(18),2(10),4,7,11,13,15(19),16-octaene
CID 138974881
2-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]pyrene
CID 160595993
fluoranthene
CID 139203734
ethane;3-(4-methylphenyl)perylene
CID 91033625

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(4-methylphenyl)acenaphthylene?
The IUPAC name of 1-iodo-2-(4-methylphenyl)acenaphthylene (CID 132837531) is 1-iodo-2-(4-methylphenyl)acenaphthylene.
What is the SMILES notation for 1-iodo-2-(4-methylphenyl)acenaphthylene?
The canonical SMILES for 1-iodo-2-(4-methylphenyl)acenaphthylene is Cc1ccc(C2=C(I)c3cccc4cccc2c34)cc1.
What is the InChIKey of 1-iodo-2-(4-methylphenyl)acenaphthylene?
The InChIKey is BXSPZOTVWMJMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13I/c1-12-8-10-14(11-9-12)18-15-6-2-4-13-5-3-7-16(17(13)15)19(18)20/h2-11H,1H3.
What are the key properties of 1-iodo-2-(4-methylphenyl)acenaphthylene?
1-iodo-2-(4-methylphenyl)acenaphthylene has a molecular weight of 368.22 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(4-methylphenyl)acenaphthylene is sourced from PubChem (CID 132837531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).