(2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran

C20H22O3 — CID 101226782

IUPAC(2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
SMILESC/C=C/c1ccc2c(c1)[C@@H](C)[C@@H](OCc1ccc(OC)cc1)O2
InChIInChI=1S/C20H22O3/c1-4-5-15-8-11-19-18(12-15)14(2)20(23-19)22-13-16-6-9-17(21-3)10-7-16/h4-12,14,20H,13H2,1-3H3/b5-4+/t14-,20+/m1/s1
InChIKeyDNRWPMGPOMZVBF-NHHRSGITSA-N
MW310.39 g/mol
LogP4.77
Rot. Bonds5

About (2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran

(2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran (PubChem CID 101226782) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is (2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
PubChem CID101226782
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name(2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
SMILESC/C=C/c1ccc2c(c1)[C@@H](C)[C@@H](OCc1ccc(OC)cc1)O2
InChIInChI=1S/C20H22O3/c1-4-5-15-8-11-19-18(12-15)14(2)20(23-19)22-13-16-6-9-17(21-3)10-7-16/h4-12,14,20H,13H2,1-3H3/b5-4+/t14-,20+/m1/s1
InChIKeyDNRWPMGPOMZVBF-NHHRSGITSA-N
XLogP4.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of (2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran (CID 101226782) is (2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran is C/C=C/c1ccc2c(c1)[C@@H](C)[C@@H](OCc1ccc(OC)cc1)O2.
What is the InChIKey of (2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran?
The InChIKey is DNRWPMGPOMZVBF-NHHRSGITSA-N. The full InChI is InChI=1S/C20H22O3/c1-4-5-15-8-11-19-18(12-15)14(2)20(23-19)22-13-16-6-9-17(21-3)10-7-16/h4-12,14,20H,13H2,1-3H3/b5-4+/t14-,20+/m1/s1.
What are the key properties of (2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran?
(2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran has a molecular weight of 310.39 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 101226782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).