3,4-dihydro-2H-chromene;ethane

C15H28O — CID 91076984

IUPAC3,4-dihydro-2H-chromene;ethane
SMILESCC.CC.CC.c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H10O.3C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;3*1-2/h1-2,4,6H,3,5,7H2;3*1-2H3
InChIKeyRQPUAXUTQRRDRU-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.09
Rot. Bonds

About 3,4-dihydro-2H-chromene;ethane

3,4-dihydro-2H-chromene;ethane (PubChem CID 91076984) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene;ethane.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene;ethane
PubChem CID91076984
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3,4-dihydro-2H-chromene;ethane
SMILESCC.CC.CC.c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H10O.3C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;3*1-2/h1-2,4,6H,3,5,7H2;3*1-2H3
InChIKeyRQPUAXUTQRRDRU-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dihydro-2H-chromene;N,N-dimethylmethanamine
CID 174740760
3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene
CID 158908593
3,4-dihydro-2H-chromene;hydron;iron;lanthanum
CID 175145681
3,4-dihydro-2H-chromene;naphthalene
CID 144745299
3,4-dihydro-2H-chromene;formaldehyde
CID 142487263
strontium;3,4-dihydro-2H-chromene;hydride;oxolead
CID 173450529
2,3-dihydro-1-benzofuran;ethane
CID 54441538
2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 158647803
2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 153343499
bis(3,4-dihydro-2H-chromene);pyridine
CID 172723174
calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium
CID 175276244
2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene;ethane?
The IUPAC name of 3,4-dihydro-2H-chromene;ethane (CID 91076984) is 3,4-dihydro-2H-chromene;ethane.
What is the SMILES notation for 3,4-dihydro-2H-chromene;ethane?
The canonical SMILES for 3,4-dihydro-2H-chromene;ethane is CC.CC.CC.c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromene;ethane?
The InChIKey is RQPUAXUTQRRDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.3C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;3*1-2/h1-2,4,6H,3,5,7H2;3*1-2H3.
What are the key properties of 3,4-dihydro-2H-chromene;ethane?
3,4-dihydro-2H-chromene;ethane has a molecular weight of 224.39 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene;ethane is sourced from PubChem (CID 91076984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).