6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one

C20H24O3 — CID 70358918

IUPAC6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one
SMILESO=C1CC(O)CC(C(=CC2=CCCCCC2)c2ccccc2)O1
InChIInChI=1S/C20H24O3/c21-17-13-19(23-20(22)14-17)18(16-10-6-3-7-11-16)12-15-8-4-1-2-5-9-15/h3,6-8,10-12,17,19,21H,1-2,4-5,9,13-14H2
InChIKeyUYCCTURGWULQIL-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.03
Rot. Bonds3

About 6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one

6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one (PubChem CID 70358918) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one
PubChem CID70358918
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one
SMILESO=C1CC(O)CC(C(=CC2=CCCCCC2)c2ccccc2)O1
InChIInChI=1S/C20H24O3/c21-17-13-19(23-20(22)14-17)18(16-10-6-3-7-11-16)12-15-8-4-1-2-5-9-15/h3,6-8,10-12,17,19,21H,1-2,4-5,9,13-14H2
InChIKeyUYCCTURGWULQIL-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one?
The IUPAC name of 6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one (CID 70358918) is 6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for 6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one?
The canonical SMILES for 6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one is O=C1CC(O)CC(C(=CC2=CCCCCC2)c2ccccc2)O1.
What is the InChIKey of 6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one?
The InChIKey is UYCCTURGWULQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c21-17-13-19(23-20(22)14-17)18(16-10-6-3-7-11-16)12-15-8-4-1-2-5-9-15/h3,6-8,10-12,17,19,21H,1-2,4-5,9,13-14H2.
What are the key properties of 6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one?
6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one has a molecular weight of 312.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclohepten-1-yl)-1-phenylethenyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 70358918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).