4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol

C15H14O3 — CID 11831593

IUPAC4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol
SMILESOc1ccc([C@H]2OCO[C@H]2c2ccccc2)cc1
InChIInChI=1S/C15H14O3/c16-13-8-6-12(7-9-13)15-14(17-10-18-15)11-4-2-1-3-5-11/h1-9,14-16H,10H2/t14-,15+/m0/s1
InChIKeyCWOASYBQJGEZOQ-LSDHHAIUSA-N
MW242.27 g/mol
LogP3.18
Rot. Bonds2

About 4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol

4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol (PubChem CID 11831593) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol.

Molecular Properties

Compound Name4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol
PubChem CID11831593
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol
SMILESOc1ccc([C@H]2OCO[C@H]2c2ccccc2)cc1
InChIInChI=1S/C15H14O3/c16-13-8-6-12(7-9-13)15-14(17-10-18-15)11-4-2-1-3-5-11/h1-9,14-16H,10H2/t14-,15+/m0/s1
InChIKeyCWOASYBQJGEZOQ-LSDHHAIUSA-N
XLogP3.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-dioxetan-2-yl)phenol
CID 57167752
4-bromo-5-phenyl-1,3-dioxolane
CID 69060625
4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol
CID 175660730
(4R,5R)-4-phenyl-1,3-dioxan-5-amine
CID 11116629
4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol
CID 174419462
3-(oxiran-2-yl)phenol;phenol
CID 87353327
benzene-1,4-diol;diphenylphosphane
CID 70153043
(4S,5R)-5-chloro-4-phenyl-1,3-dioxane
CID 71370550
(4S,5S)-5-chloro-4-phenyl-1,3-dioxane
CID 95562202
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
bis(4-hydroxyphenyl)iodanium
CID 19068687

Frequently Asked Questions

What is the IUPAC name of 4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol?
The IUPAC name of 4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol (CID 11831593) is 4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol.
What is the SMILES notation for 4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol?
The canonical SMILES for 4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol is Oc1ccc([C@H]2OCO[C@H]2c2ccccc2)cc1.
What is the InChIKey of 4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol?
The InChIKey is CWOASYBQJGEZOQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H14O3/c16-13-8-6-12(7-9-13)15-14(17-10-18-15)11-4-2-1-3-5-11/h1-9,14-16H,10H2/t14-,15+/m0/s1.
What are the key properties of 4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol?
4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol has a molecular weight of 242.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R,5S)-5-phenyl-1,3-dioxolan-4-yl]phenol is sourced from PubChem (CID 11831593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).