4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol

C19H22O3 — CID 14427397

IUPAC4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol
SMILESOc1ccc(CC[C@H]2CCC[C@@H](c3ccc(O)cc3)O2)cc1
InChIInChI=1S/C19H22O3/c20-16-9-4-14(5-10-16)6-13-18-2-1-3-19(22-18)15-7-11-17(21)12-8-15/h4-5,7-12,18-21H,1-3,6,13H2/t18-,19+/m1/s1
InChIKeyPFPVUGVMSODGGR-MOPGFXCFSA-N
MW298.38 g/mol
LogP4.34
Rot. Bonds4

About 4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol

4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol (PubChem CID 14427397) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol
PubChem CID14427397
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol
SMILESOc1ccc(CC[C@H]2CCC[C@@H](c3ccc(O)cc3)O2)cc1
InChIInChI=1S/C19H22O3/c20-16-9-4-14(5-10-16)6-13-18-2-1-3-19(22-18)15-7-11-17(21)12-8-15/h4-5,7-12,18-21H,1-3,6,13H2/t18-,19+/m1/s1
InChIKeyPFPVUGVMSODGGR-MOPGFXCFSA-N
XLogP4.34
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Diethylstilbestrol
CID 448537
Dienestrol
CID 667476
Bis(4-hydroxyphenyl)methane
CID 12111
Diethylstilbesterol
CID 3054
4-(Methoxymethyl)phenol
CID 79310
4-Ethoxymethylphenol
CID 93781
Cyclofenil diphenol
CID 21260
1'-Hydroxyestragole
CID 40003
1,2-Bis(4-hydroxyphenyl)ethane
CID 80152
Phenol, 4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-
CID 3049
4-Methoxy-alpha,alpha-diphenylbenzenemethanol
CID 70061
Di-(3,5-di-tert-butyl-4-hydroxybenzyl)ether
CID 81340

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol (CID 14427397) is 4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol is Oc1ccc(CC[C@H]2CCC[C@@H](c3ccc(O)cc3)O2)cc1.
What is the InChIKey of 4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol?
The InChIKey is PFPVUGVMSODGGR-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H22O3/c20-16-9-4-14(5-10-16)6-13-18-2-1-3-19(22-18)15-7-11-17(21)12-8-15/h4-5,7-12,18-21H,1-3,6,13H2/t18-,19+/m1/s1.
What are the key properties of 4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol?
4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol has a molecular weight of 298.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol is sourced from PubChem (CID 14427397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).