(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane

C18H20O4 — CID 57225291

IUPAC(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
SMILESCC1(C)OC[C@H](COc2ccc(Oc3ccccc3)cc2)O1
InChIInChI=1S/C18H20O4/c1-18(2)20-13-17(22-18)12-19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3/t17-/m0/s1
InChIKeyBYQKIJHETWJYME-KRWDZBQOSA-N
MW300.35 g/mol
LogP4.01
Rot. Bonds5

About (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane (PubChem CID 57225291) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
PubChem CID57225291
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
SMILESCC1(C)OC[C@H](COc2ccc(Oc3ccccc3)cc2)O1
InChIInChI=1S/C18H20O4/c1-18(2)20-13-17(22-18)12-19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3/t17-/m0/s1
InChIKeyBYQKIJHETWJYME-KRWDZBQOSA-N
XLogP4.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-[(4-methylphenoxy)methyl]-1,3-dioxolane
CID 66834871
1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol
CID 54150014
3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]aniline
CID 58278984
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]aniline
CID 58154795
3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]aniline
CID 58552948
2,2-dimethyl-4-[[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]methyl]-1,3-dioxolane
CID 89180979
N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
CID 129387400
(4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane
CID 71365815
5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridin-2-amine
CID 121350448
2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
CID 78066178
4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide
CID 123686862
[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone
CID 90480248

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane (CID 57225291) is (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane is CC1(C)OC[C@H](COc2ccc(Oc3ccccc3)cc2)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
The InChIKey is BYQKIJHETWJYME-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20O4/c1-18(2)20-13-17(22-18)12-19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane has a molecular weight of 300.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane is sourced from PubChem (CID 57225291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).