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

C14H20O3S — CID 70485072

IUPAC(1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(SCC2COC(C)(C)O2)cc1
InChIInChI=1S/C14H20O3S/c1-10(15)11-4-6-13(7-5-11)18-9-12-8-16-14(2,3)17-12/h4-7,10,12,15H,8-9H2,1-3H3/t10-,12?/m0/s1
InChIKeyXVWVEJZKZYXDTP-NUHJPDEHSA-N
MW268.38 g/mol
LogP2.98
Rot. Bonds4

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

(1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol (PubChem CID 70485072) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is (1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol
PubChem CID70485072
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name(1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(SCC2COC(C)(C)O2)cc1
InChIInChI=1S/C14H20O3S/c1-10(15)11-4-6-13(7-5-11)18-9-12-8-16-14(2,3)17-12/h4-7,10,12,15H,8-9H2,1-3H3/t10-,12?/m0/s1
InChIKeyXVWVEJZKZYXDTP-NUHJPDEHSA-N
XLogP2.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol (CID 70485072) is (1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol is C[C@H](O)c1ccc(SCC2COC(C)(C)O2)cc1.
What is the InChIKey of (1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol?
The InChIKey is XVWVEJZKZYXDTP-NUHJPDEHSA-N. The full InChI is InChI=1S/C14H20O3S/c1-10(15)11-4-6-13(7-5-11)18-9-12-8-16-14(2,3)17-12/h4-7,10,12,15H,8-9H2,1-3H3/t10-,12?/m0/s1.
What are the key properties of (1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol?
(1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol has a molecular weight of 268.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol is sourced from PubChem (CID 70485072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).