8-(2-methylpropyl)-4H-chromene

C13H16O — CID 91258451

IUPAC8-(2-methylpropyl)-4H-chromene
SMILESCC(C)Cc1cccc2c1OC=CC2
InChIInChI=1S/C13H16O/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12/h3-6,8,10H,7,9H2,1-2H3
InChIKeyMLZZQZGSZCUPFC-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.33
Rot. Bonds2

About 8-(2-methylpropyl)-4H-chromene

8-(2-methylpropyl)-4H-chromene (PubChem CID 91258451) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 8-(2-methylpropyl)-4H-chromene.

Molecular Properties

Compound Name8-(2-methylpropyl)-4H-chromene
PubChem CID91258451
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name8-(2-methylpropyl)-4H-chromene
SMILESCC(C)Cc1cccc2c1OC=CC2
InChIInChI=1S/C13H16O/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12/h3-6,8,10H,7,9H2,1-2H3
InChIKeyMLZZQZGSZCUPFC-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropyl)-4H-chromene?
The IUPAC name of 8-(2-methylpropyl)-4H-chromene (CID 91258451) is 8-(2-methylpropyl)-4H-chromene.
What is the SMILES notation for 8-(2-methylpropyl)-4H-chromene?
The canonical SMILES for 8-(2-methylpropyl)-4H-chromene is CC(C)Cc1cccc2c1OC=CC2.
What is the InChIKey of 8-(2-methylpropyl)-4H-chromene?
The InChIKey is MLZZQZGSZCUPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12/h3-6,8,10H,7,9H2,1-2H3.
What are the key properties of 8-(2-methylpropyl)-4H-chromene?
8-(2-methylpropyl)-4H-chromene has a molecular weight of 188.27 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropyl)-4H-chromene is sourced from PubChem (CID 91258451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).