2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene

C24H26O2 — CID 86009822

IUPAC2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene
SMILESC1=CC(CCCCCCC2C=Cc3ccccc3O2)Oc2ccccc21
InChIInChI=1S/C24H26O2/c1(3-11-21-17-15-19-9-5-7-13-23(19)25-21)2-4-12-22-18-16-20-10-6-8-14-24(20)26-22/h5-10,13-18,21-22H,1-4,11-12H2
InChIKeyXEUZXZQIIJEBKI-UHFFFAOYSA-N
MW346.47 g/mol
LogP6.28
Rot. Bonds7

About 2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene

2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene (PubChem CID 86009822) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene.

Molecular Properties

Compound Name2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene
PubChem CID86009822
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene
SMILESC1=CC(CCCCCCC2C=Cc3ccccc3O2)Oc2ccccc21
InChIInChI=1S/C24H26O2/c1(3-11-21-17-15-19-9-5-7-13-23(19)25-21)2-4-12-22-18-16-20-10-6-8-14-24(20)26-22/h5-10,13-18,21-22H,1-4,11-12H2
InChIKeyXEUZXZQIIJEBKI-UHFFFAOYSA-N
XLogP6.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl]-2H-chromene
CID 86103229
2H-chromene-2-thiol
CID 154323304
2H-chromene-2-carbonitrile;hydrate
CID 175108536
2-butyl-2H-chromene-6-carboxylic acid
CID 174747813
(2R)-2-naphthalen-2-yl-2H-chromene
CID 102138698
2-phenylmethoxy-2H-chromene
CID 11436351
(2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene
CID 118487630
2-(3-phenylprop-1-en-2-yl)-2H-chromene
CID 22155537
6-deuterio-6-pentylbenzo[d][1,3]benzodioxepine
CID 102077062
2-ethyl-2H-chromen-7-ol
CID 144761238
1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one
CID 154585851
2-undecyl-2H-chromene-3-carbaldehyde
CID 18185237

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene?
The IUPAC name of 2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene (CID 86009822) is 2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene.
What is the SMILES notation for 2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene?
The canonical SMILES for 2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene is C1=CC(CCCCCCC2C=Cc3ccccc3O2)Oc2ccccc21.
What is the InChIKey of 2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene?
The InChIKey is XEUZXZQIIJEBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1(3-11-21-17-15-19-9-5-7-13-23(19)25-21)2-4-12-22-18-16-20-10-6-8-14-24(20)26-22/h5-10,13-18,21-22H,1-4,11-12H2.
What are the key properties of 2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene?
2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene has a molecular weight of 346.47 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene is sourced from PubChem (CID 86009822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).