1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol

C14H20O4 — CID 54150014

IUPAC1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(OC[C@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C14H20O4/c1-10(15)11-4-6-12(7-5-11)16-8-13-9-17-14(2,3)18-13/h4-7,10,13,15H,8-9H2,1-3H3/t10?,13-/m0/s1
InChIKeyOHBYDIHDXUMCRN-HQVZTVAUSA-N
MW252.31 g/mol
LogP2.27
Rot. Bonds4

About 1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol

1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol (PubChem CID 54150014) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol
PubChem CID54150014
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(OC[C@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C14H20O4/c1-10(15)11-4-6-12(7-5-11)16-8-13-9-17-14(2,3)18-13/h4-7,10,13,15H,8-9H2,1-3H3/t10?,13-/m0/s1
InChIKeyOHBYDIHDXUMCRN-HQVZTVAUSA-N
XLogP2.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Salicin
CID 439503
4-Methoxybenzyl alcohol
CID 7738
Gastrodin
CID 115067
alpha-Ethenyl-1,3-benzodioxole-5-methanol
CID 21268
2-(p-Nonylphenoxy)ethanol
CID 7700
Vanillin 2,3-butanediol acetal
CID 57358374
Sergliflozin Etabonate
CID 9824918
Dihydroconiferin
CID 14427336
Vanilloloside
CID 44577222
1'-Hydroxyestragole
CID 40003
Ethyl vanillin propylene glycol acetal
CID 109457
4-Acetoxybenzyl alcohol
CID 95906

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol (CID 54150014) is 1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol is CC(O)c1ccc(OC[C@H]2COC(C)(C)O2)cc1.
What is the InChIKey of 1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol?
The InChIKey is OHBYDIHDXUMCRN-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H20O4/c1-10(15)11-4-6-12(7-5-11)16-8-13-9-17-14(2,3)18-13/h4-7,10,13,15H,8-9H2,1-3H3/t10?,13-/m0/s1.
What are the key properties of 1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol?
1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol has a molecular weight of 252.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol is sourced from PubChem (CID 54150014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).