6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene

C12H15ClO2 — CID 59564028

IUPAC6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene
SMILESCC(C)Oc1cc2c(cc1Cl)CCCO2
InChIInChI=1S/C12H15ClO2/c1-8(2)15-12-7-11-9(6-10(12)13)4-3-5-14-11/h6-8H,3-5H2,1-2H3
InChIKeyHNYQNHAIDYHREA-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.45
Rot. Bonds2

About 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene

6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene (PubChem CID 59564028) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene
PubChem CID59564028
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene
SMILESCC(C)Oc1cc2c(cc1Cl)CCCO2
InChIInChI=1S/C12H15ClO2/c1-8(2)15-12-7-11-9(6-10(12)13)4-3-5-14-11/h6-8H,3-5H2,1-2H3
InChIKeyHNYQNHAIDYHREA-UHFFFAOYSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-7-hydroxy-4-methylcoumarin
CID 5374887
6-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate
CID 772978
methyl 2-[(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]acetate
CID 797462
8-chloro-7-ethoxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
CID 1933725
2-[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoic acid
CID 2771981
8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one
CID 886522
6-chloro-7-ethoxy-4-phenyl-2H-chromen-2-one
CID 678875
2-chloro-3-[(3-methyl-2-butenyl)oxy]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
CID 705658
2-[(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]propanoic acid
CID 662118
[(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]acetic acid
CID 936550
6-chloro-7-[(4-methoxybenzyl)oxy]-4-propyl-2H-chromen-2-one
CID 1330539
6-chloro-7-hydroxy-4-propyl-2H-chromen-2-one
CID 5413899

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene?
The IUPAC name of 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene (CID 59564028) is 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene is CC(C)Oc1cc2c(cc1Cl)CCCO2.
What is the InChIKey of 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene?
The InChIKey is HNYQNHAIDYHREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8(2)15-12-7-11-9(6-10(12)13)4-3-5-14-11/h6-8H,3-5H2,1-2H3.
What are the key properties of 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene?
6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene has a molecular weight of 226.70 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59564028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).