7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene

C10H10ClIO — CID 130774956

IUPAC7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene
SMILESCc1c(Cl)ccc2c1OCCC2I
InChIInChI=1S/C10H10ClIO/c1-6-8(11)3-2-7-9(12)4-5-13-10(6)7/h2-3,9H,4-5H2,1H3
InChIKeyRQALFSOOBWRLQV-UHFFFAOYSA-N
MW308.55 g/mol
LogP3.91
Rot. Bonds

About 7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene

7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene (PubChem CID 130774956) has the molecular formula C10H10ClIO and a molecular weight of 308.55 g/mol. Its IUPAC name is 7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene
PubChem CID130774956
Molecular FormulaC10H10ClIO
Molecular Weight308.55 g/mol
Exact Mass307.95
IUPAC Name7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene
SMILESCc1c(Cl)ccc2c1OCCC2I
InChIInChI=1S/C10H10ClIO/c1-6-8(11)3-2-7-9(12)4-5-13-10(6)7/h2-3,9H,4-5H2,1H3
InChIKeyRQALFSOOBWRLQV-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-8-methyl-3,4-dihydro-2H-chromene-4-thiol
CID 130774940
(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961328
8-chloro-3,4-dihydro-2H-chromene-4-thiol
CID 130760391
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859
6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol
CID 130792885
(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180
6-chloro-5-fluoro-4-iodo-3,4-dihydro-2H-chromene
CID 130935602
(4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 15420539
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145
4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile
CID 55273180
(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241614
7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene
CID 142361592

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene (CID 130774956) is 7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene is Cc1c(Cl)ccc2c1OCCC2I.
What is the InChIKey of 7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene?
The InChIKey is RQALFSOOBWRLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIO/c1-6-8(11)3-2-7-9(12)4-5-13-10(6)7/h2-3,9H,4-5H2,1H3.
What are the key properties of 7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene?
7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene has a molecular weight of 308.55 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-iodo-8-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 130774956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).