2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane

C18H20O3 — CID 563840

IUPAC2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane
SMILESc1ccc(COc2ccc(CCC3OCCO3)cc2)cc1
InChIInChI=1S/C18H20O3/c1-2-4-16(5-3-1)14-21-17-9-6-15(7-10-17)8-11-18-19-12-13-20-18/h1-7,9-10,18H,8,11-14H2
InChIKeySTGUTQYRXWNJPC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.57
Rot. Bonds6

About 2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane

2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane (PubChem CID 563840) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane
PubChem CID563840
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane
SMILESc1ccc(COc2ccc(CCC3OCCO3)cc2)cc1
InChIInChI=1S/C18H20O3/c1-2-4-16(5-3-1)14-21-17-9-6-15(7-10-17)8-11-18-19-12-13-20-18/h1-7,9-10,18H,8,11-14H2
InChIKeySTGUTQYRXWNJPC-UHFFFAOYSA-N
XLogP3.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bisphenol F diglycidyl ether
CID 91511
1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
CID 97354
Benzene, 2-methoxy-1-(phenylmethoxy)-4-(2-propen-1-yl)-
CID 93649
3,4-Bis(4-methoxyphenyl)hex-3-ene
CID 3032539
Benzyl p-tolyl ether
CID 70036
1-(Diethoxymethyl)-4-methoxybenzene
CID 75468
4,4'-Dimethoxybibenzyl
CID 74261
Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)-
CID 77333
Tetrahydro-2-(4-methylphenoxy)-2H-pyran
CID 114531
4-(2-Propen-1-yl)phenyl 6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranoside
CID 442789
3-(4-(Benzyloxy)phenyl)propan-1-ol
CID 2764076
4-Ethoxystilbene
CID 20245531

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane (CID 563840) is 2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane is c1ccc(COc2ccc(CCC3OCCO3)cc2)cc1.
What is the InChIKey of 2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane?
The InChIKey is STGUTQYRXWNJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-4-16(5-3-1)14-21-17-9-6-15(7-10-17)8-11-18-19-12-13-20-18/h1-7,9-10,18H,8,11-14H2.
What are the key properties of 2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane?
2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane has a molecular weight of 284.36 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 563840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).