(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol

C13H18O4 — CID 102381132

IUPAC(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
SMILESC=C[C@H](OCc1ccc(OC)cc1)[C@H](O)CO
InChIInChI=1S/C13H18O4/c1-3-13(12(15)8-14)17-9-10-4-6-11(16-2)7-5-10/h3-7,12-15H,1,8-9H2,2H3/t12-,13+/m1/s1
InChIKeyDYEJFDSFUHTNGK-OLZOCXBDSA-N
MW238.28 g/mol
LogP1.12
Rot. Bonds7

About (2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol

(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol (PubChem CID 102381132) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
PubChem CID102381132
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
SMILESC=C[C@H](OCc1ccc(OC)cc1)[C@H](O)CO
InChIInChI=1S/C13H18O4/c1-3-13(12(15)8-14)17-9-10-4-6-11(16-2)7-5-10/h3-7,12-15H,1,8-9H2,2H3/t12-,13+/m1/s1
InChIKeyDYEJFDSFUHTNGK-OLZOCXBDSA-N
XLogP1.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)hept-6-ene-1,4-diol
CID 72976602
(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
CID 11673005
(3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 11471994
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(2R,3R,4R,5R)-4,5,6-trihydroxy-3-[(4-methoxyphenyl)methoxy]-2-phenylmethoxyhexanal
CID 174667133
1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene
CID 173117366
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
(1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol
CID 140533860
(2E,5S)-5-[(4-methoxyphenyl)methoxy]-4,4-dimethylhepta-2,6-dien-1-ol
CID 10869554
(2R,3R)-2-[(4-methoxyphenyl)methoxy]-7-methyloct-6-ene-1,3-diol
CID 71425675
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol?
The IUPAC name of (2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol (CID 102381132) is (2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol.
What is the SMILES notation for (2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol?
The canonical SMILES for (2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol is C=C[C@H](OCc1ccc(OC)cc1)[C@H](O)CO.
What is the InChIKey of (2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol?
The InChIKey is DYEJFDSFUHTNGK-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-13(12(15)8-14)17-9-10-4-6-11(16-2)7-5-10/h3-7,12-15H,1,8-9H2,2H3/t12-,13+/m1/s1.
What are the key properties of (2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol?
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol has a molecular weight of 238.28 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol is sourced from PubChem (CID 102381132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).