3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan

C13H16O — CID 167222828

IUPAC3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan
SMILESCC(C)C1C=CC=C(c2ccoc2)C1
InChIInChI=1S/C13H16O/c1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13/h3-7,9-11H,8H2,1-2H3
InChIKeyMJUPAVFOCJDHLI-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.90
Rot. Bonds2

About 3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan

3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan (PubChem CID 167222828) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan.

Molecular Properties

Compound Name3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan
PubChem CID167222828
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan
SMILESCC(C)C1C=CC=C(c2ccoc2)C1
InChIInChI=1S/C13H16O/c1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13/h3-7,9-11H,8H2,1-2H3
InChIKeyMJUPAVFOCJDHLI-UHFFFAOYSA-N
XLogP3.90
TPSA13.14 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 ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan?
The IUPAC name of 3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan (CID 167222828) is 3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan.
What is the SMILES notation for 3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan?
The canonical SMILES for 3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan is CC(C)C1C=CC=C(c2ccoc2)C1.
What is the InChIKey of 3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan?
The InChIKey is MJUPAVFOCJDHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan?
3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan has a molecular weight of 188.27 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan is sourced from PubChem (CID 167222828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).