8-(2-methylpropyl)-3,4-dihydro-2H-chromene

C13H18O — CID 160635539

IUPAC8-(2-methylpropyl)-3,4-dihydro-2H-chromene
SMILESCC(C)Cc1cccc2c1OCCC2
InChIInChI=1S/C13H18O/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12/h3,5-6,10H,4,7-9H2,1-2H3
InChIKeyLBCARUOAQURKCE-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.21
Rot. Bonds2

About 8-(2-methylpropyl)-3,4-dihydro-2H-chromene

8-(2-methylpropyl)-3,4-dihydro-2H-chromene (PubChem CID 160635539) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 8-(2-methylpropyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-(2-methylpropyl)-3,4-dihydro-2H-chromene
PubChem CID160635539
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name8-(2-methylpropyl)-3,4-dihydro-2H-chromene
SMILESCC(C)Cc1cccc2c1OCCC2
InChIInChI=1S/C13H18O/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12/h3,5-6,10H,4,7-9H2,1-2H3
InChIKeyLBCARUOAQURKCE-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene
CID 114747076
1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine
CID 114746879
3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal
CID 114746856
1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine
CID 114746942
4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine
CID 114746902
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
3,4-dihydro-2H-chromene-8-thiol
CID 123990330
2-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanamine
CID 83829835
1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
CID 114200584
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one
CID 114746846
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 8-(2-methylpropyl)-3,4-dihydro-2H-chromene (CID 160635539) is 8-(2-methylpropyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-(2-methylpropyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-(2-methylpropyl)-3,4-dihydro-2H-chromene is CC(C)Cc1cccc2c1OCCC2.
What is the InChIKey of 8-(2-methylpropyl)-3,4-dihydro-2H-chromene?
The InChIKey is LBCARUOAQURKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12/h3,5-6,10H,4,7-9H2,1-2H3.
What are the key properties of 8-(2-methylpropyl)-3,4-dihydro-2H-chromene?
8-(2-methylpropyl)-3,4-dihydro-2H-chromene has a molecular weight of 190.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 160635539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).