2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol

C18H26O5 — CID 23579102

IUPAC2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol
SMILESCC(C)OCC12COC(C(c3ccccc3O)O1)C2OC(C)C
InChIInChI=1S/C18H26O5/c1-11(2)20-9-18-10-21-16(17(18)22-12(3)4)15(23-18)13-7-5-6-8-14(13)19/h5-8,11-12,15-17,19H,9-10H2,1-4H3
InChIKeyAPXDNJPWZQSRBT-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.82
Rot. Bonds6

About 2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol

2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol (PubChem CID 23579102) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol.

Molecular Properties

Compound Name2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol
PubChem CID23579102
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol
SMILESCC(C)OCC12COC(C(c3ccccc3O)O1)C2OC(C)C
InChIInChI=1S/C18H26O5/c1-11(2)20-9-18-10-21-16(17(18)22-12(3)4)15(23-18)13-7-5-6-8-14(13)19/h5-8,11-12,15-17,19H,9-10H2,1-4H3
InChIKeyAPXDNJPWZQSRBT-UHFFFAOYSA-N
XLogP2.82
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol?
The IUPAC name of 2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol (CID 23579102) is 2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol.
What is the SMILES notation for 2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol?
The canonical SMILES for 2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol is CC(C)OCC12COC(C(c3ccccc3O)O1)C2OC(C)C.
What is the InChIKey of 2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol?
The InChIKey is APXDNJPWZQSRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-11(2)20-9-18-10-21-16(17(18)22-12(3)4)15(23-18)13-7-5-6-8-14(13)19/h5-8,11-12,15-17,19H,9-10H2,1-4H3.
What are the key properties of 2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol?
2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol has a molecular weight of 322.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol is sourced from PubChem (CID 23579102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).