1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one

C22H28O7 — CID 159228900

IUPAC1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one
SMILESCC(O)COc1ccc(Cc2ccc(OCCO)cc2)cc1.CC1COC(=O)O1
InChIInChI=1S/C18H22O4.C4H6O3/c1-14(20)13-22-18-8-4-16(5-9-18)12-15-2-6-17(7-3-15)21-11-10-19;1-3-2-6-4(5)7-3/h2-9,14,19-20H,10-13H2,1H3;3H,2H2,1H3
InChIKeyKSQIECNQLREQBT-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.95
Rot. Bonds8

About 1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one

1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one (PubChem CID 159228900) has the molecular formula C22H28O7 and a molecular weight of 404.46 g/mol. Its IUPAC name is 1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one
PubChem CID159228900
Molecular FormulaC22H28O7
Molecular Weight404.46 g/mol
Exact Mass404.18
IUPAC Name1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one
SMILESCC(O)COc1ccc(Cc2ccc(OCCO)cc2)cc1.CC1COC(=O)O1
InChIInChI=1S/C18H22O4.C4H6O3/c1-14(20)13-22-18-8-4-16(5-9-18)12-15-2-6-17(7-3-15)21-11-10-19;1-3-2-6-4(5)7-3/h2-9,14,19-20H,10-13H2,1H3;3H,2H2,1H3
InChIKeyKSQIECNQLREQBT-UHFFFAOYSA-N
XLogP2.95
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one 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

1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one
CID 68789075
4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one
CID 58067944
1-[4-[(4-pent-4-ynoxyphenyl)methyl]phenoxy]propan-2-ol
CID 159897530
1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159194222
1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol
CID 123594321
1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159356219
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
formamide;4-methyl-1,3-dioxolan-2-one
CID 157162326
4-methyl-1,3-dioxolan-2-one;oxalic acid
CID 159173945
1-[4-[4-(2-hydroxypropoxy)phenoxy]phenoxy]propan-2-ol;oxet-2-one
CID 68788196
3-[4-[[4-(3-hydroxy-2-methylpropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
CID 70897892

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one?
The IUPAC name of 1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one (CID 159228900) is 1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for 1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for 1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one is CC(O)COc1ccc(Cc2ccc(OCCO)cc2)cc1.CC1COC(=O)O1.
What is the InChIKey of 1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one?
The InChIKey is KSQIECNQLREQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4.C4H6O3/c1-14(20)13-22-18-8-4-16(5-9-18)12-15-2-6-17(7-3-15)21-11-10-19;1-3-2-6-4(5)7-3/h2-9,14,19-20H,10-13H2,1H3;3H,2H2,1H3.
What are the key properties of 1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one?
1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one has a molecular weight of 404.46 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 159228900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).