4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol

C12H16O3 — CID 66899808

IUPAC4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol
SMILESCC1(C)OC[C@H](Cc2ccc(O)cc2)O1
InChIInChI=1S/C12H16O3/c1-12(2)14-8-11(15-12)7-9-3-5-10(13)6-4-9/h3-6,11,13H,7-8H2,1-2H3/t11-/m0/s1
InChIKeySNGOUONKCYYOMS-NSHDSACASA-N
MW208.26 g/mol
LogP2.09
Rot. Bonds2

About 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol

4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol (PubChem CID 66899808) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol
PubChem CID66899808
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol
SMILESCC1(C)OC[C@H](Cc2ccc(O)cc2)O1
InChIInChI=1S/C12H16O3/c1-12(2)14-8-11(15-12)7-9-3-5-10(13)6-4-9/h3-6,11,13H,7-8H2,1-2H3/t11-/m0/s1
InChIKeySNGOUONKCYYOMS-NSHDSACASA-N
XLogP2.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol?
The IUPAC name of 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol (CID 66899808) is 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol.
What is the SMILES notation for 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol?
The canonical SMILES for 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol is CC1(C)OC[C@H](Cc2ccc(O)cc2)O1.
What is the InChIKey of 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol?
The InChIKey is SNGOUONKCYYOMS-NSHDSACASA-N. The full InChI is InChI=1S/C12H16O3/c1-12(2)14-8-11(15-12)7-9-3-5-10(13)6-4-9/h3-6,11,13H,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol?
4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol has a molecular weight of 208.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenol is sourced from PubChem (CID 66899808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).