2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran]

C16H16O3 — CID 134863746

IUPAC2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran]
SMILESc1ccc(-c2cc3c(o2)CCC2(C3)OCCO2)cc1
InChIInChI=1S/C16H16O3/c1-2-4-12(5-3-1)15-10-13-11-16(17-8-9-18-16)7-6-14(13)19-15/h1-5,10H,6-9,11H2
InChIKeyQCQTYWZVFXLXDW-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.18
Rot. Bonds1

About 2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran]

2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran] (PubChem CID 134863746) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran].

Molecular Properties

Compound Name2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran]
PubChem CID134863746
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran]
SMILESc1ccc(-c2cc3c(o2)CCC2(C3)OCCO2)cc1
InChIInChI=1S/C16H16O3/c1-2-4-12(5-3-1)15-10-13-11-16(17-8-9-18-16)7-6-14(13)19-15/h1-5,10H,6-9,11H2
InChIKeyQCQTYWZVFXLXDW-UHFFFAOYSA-N
XLogP3.18
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran]?
The IUPAC name of 2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran] (CID 134863746) is 2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran].
What is the SMILES notation for 2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran]?
The canonical SMILES for 2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran] is c1ccc(-c2cc3c(o2)CCC2(C3)OCCO2)cc1.
What is the InChIKey of 2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran]?
The InChIKey is QCQTYWZVFXLXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-4-12(5-3-1)15-10-13-11-16(17-8-9-18-16)7-6-14(13)19-15/h1-5,10H,6-9,11H2.
What are the key properties of 2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran]?
2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran] has a molecular weight of 256.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-phenylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzofuran] is sourced from PubChem (CID 134863746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).