(2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol

C11H16O3 — CID 10352649

IUPAC(2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
SMILESC[C@@H](O)COc1ccccc1[C@@H](C)O
InChIInChI=1S/C11H16O3/c1-8(12)7-14-11-6-4-3-5-10(11)9(2)13/h3-6,8-9,12-13H,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyJORRCOAZDNYPNS-RKDXNWHRSA-N
MW196.25 g/mol
LogP1.50
Rot. Bonds4

About (2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol

(2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol (PubChem CID 10352649) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
PubChem CID10352649
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
SMILESC[C@@H](O)COc1ccccc1[C@@H](C)O
InChIInChI=1S/C11H16O3/c1-8(12)7-14-11-6-4-3-5-10(11)9(2)13/h3-6,8-9,12-13H,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyJORRCOAZDNYPNS-RKDXNWHRSA-N
XLogP1.50
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol (CID 10352649) is (2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol is C[C@@H](O)COc1ccccc1[C@@H](C)O.
What is the InChIKey of (2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
The InChIKey is JORRCOAZDNYPNS-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H16O3/c1-8(12)7-14-11-6-4-3-5-10(11)9(2)13/h3-6,8-9,12-13H,7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
(2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 10352649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).