2H-chromene;propane

C12H16O — CID 160650237

IUPAC2H-chromene;propane
SMILESC1=Cc2ccccc2OC1.CCC
InChIInChI=1S/C9H8O.C3H8/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-2/h1-6H,7H2;3H2,1-2H3
InChIKeyRKIAFTFVVUJDPS-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.51
Rot. Bonds

About 2H-chromene;propane

2H-chromene;propane (PubChem CID 160650237) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2H-chromene;propane.

Molecular Properties

Compound Name2H-chromene;propane
PubChem CID160650237
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2H-chromene;propane
SMILESC1=Cc2ccccc2OC1.CCC
InChIInChI=1S/C9H8O.C3H8/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-2/h1-6H,7H2;3H2,1-2H3
InChIKeyRKIAFTFVVUJDPS-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-chromene;propane?
The IUPAC name of 2H-chromene;propane (CID 160650237) is 2H-chromene;propane.
What is the SMILES notation for 2H-chromene;propane?
The canonical SMILES for 2H-chromene;propane is C1=Cc2ccccc2OC1.CCC.
What is the InChIKey of 2H-chromene;propane?
The InChIKey is RKIAFTFVVUJDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C3H8/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-2/h1-6H,7H2;3H2,1-2H3.
What are the key properties of 2H-chromene;propane?
2H-chromene;propane has a molecular weight of 176.26 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene;propane is sourced from PubChem (CID 160650237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).