(2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol

C19H22O5 — CID 72734679

IUPAC(2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol
SMILESC=CCc1cc(-c2cc([C@H](OC)[C@H](O)CO)ccc2O)ccc1O
InChIInChI=1S/C19H22O5/c1-3-4-13-9-12(5-7-16(13)21)15-10-14(6-8-17(15)22)19(24-2)18(23)11-20/h3,5-10,18-23H,1,4,11H2,2H3/t18-,19+/m1/s1
InChIKeyJBMSBOVKFSZIBW-MOPGFXCFSA-N
MW330.38 g/mol
LogP2.53
Rot. Bonds7

About (2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol

(2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol (PubChem CID 72734679) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol
PubChem CID72734679
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol
SMILESC=CCc1cc(-c2cc([C@H](OC)[C@H](O)CO)ccc2O)ccc1O
InChIInChI=1S/C19H22O5/c1-3-4-13-9-12(5-7-16(13)21)15-10-14(6-8-17(15)22)19(24-2)18(23)11-20/h3,5-10,18-23H,1,4,11H2,2H3/t18-,19+/m1/s1
InChIKeyJBMSBOVKFSZIBW-MOPGFXCFSA-N
XLogP2.53
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol?
The IUPAC name of (2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol (CID 72734679) is (2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol.
What is the SMILES notation for (2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol?
The canonical SMILES for (2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol is C=CCc1cc(-c2cc([C@H](OC)[C@H](O)CO)ccc2O)ccc1O.
What is the InChIKey of (2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol?
The InChIKey is JBMSBOVKFSZIBW-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H22O5/c1-3-4-13-9-12(5-7-16(13)21)15-10-14(6-8-17(15)22)19(24-2)18(23)11-20/h3,5-10,18-23H,1,4,11H2,2H3/t18-,19+/m1/s1.
What are the key properties of (2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol?
(2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol has a molecular weight of 330.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]-3-methoxypropane-1,2-diol is sourced from PubChem (CID 72734679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).