5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene

C12H15IO — CID 146614842

IUPAC5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene
SMILESCC(C)c1ccc(I)c2c1OCCC2
InChIInChI=1S/C12H15IO/c1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyUNHXJTSCDSYAGW-UHFFFAOYSA-N
MW302.15 g/mol
LogP3.74
Rot. Bonds1

About 5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene

5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene (PubChem CID 146614842) has the molecular formula C12H15IO and a molecular weight of 302.15 g/mol. Its IUPAC name is 5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene
PubChem CID146614842
Molecular FormulaC12H15IO
Molecular Weight302.15 g/mol
Exact Mass302.02
IUPAC Name5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene
SMILESCC(C)c1ccc(I)c2c1OCCC2
InChIInChI=1S/C12H15IO/c1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyUNHXJTSCDSYAGW-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene?
The IUPAC name of 5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene (CID 146614842) is 5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene?
The canonical SMILES for 5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene is CC(C)c1ccc(I)c2c1OCCC2.
What is the InChIKey of 5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene?
The InChIKey is UNHXJTSCDSYAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO/c1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene?
5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene has a molecular weight of 302.15 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 146614842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).