2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol

C17H18O4 — CID 71592035

IUPAC2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol
SMILESOc1ccccc1C1OCC(COCc2ccccc2)O1
InChIInChI=1S/C17H18O4/c18-16-9-5-4-8-15(16)17-20-12-14(21-17)11-19-10-13-6-2-1-3-7-13/h1-9,14,17-18H,10-12H2
InChIKeyBZKWEWOIOKSKHN-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.02
Rot. Bonds5

About 2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol

2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol (PubChem CID 71592035) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol
PubChem CID71592035
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol
SMILESOc1ccccc1C1OCC(COCc2ccccc2)O1
InChIInChI=1S/C17H18O4/c18-16-9-5-4-8-15(16)17-20-12-14(21-17)11-19-10-13-6-2-1-3-7-13/h1-9,14,17-18H,10-12H2
InChIKeyBZKWEWOIOKSKHN-UHFFFAOYSA-N
XLogP3.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol?
The IUPAC name of 2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol (CID 71592035) is 2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol.
What is the SMILES notation for 2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol?
The canonical SMILES for 2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol is Oc1ccccc1C1OCC(COCc2ccccc2)O1.
What is the InChIKey of 2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol?
The InChIKey is BZKWEWOIOKSKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c18-16-9-5-4-8-15(16)17-20-12-14(21-17)11-19-10-13-6-2-1-3-7-13/h1-9,14,17-18H,10-12H2.
What are the key properties of 2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol?
2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol has a molecular weight of 286.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]phenol is sourced from PubChem (CID 71592035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).