(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

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

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Related Compounds

(2R,3R)-2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran
CID 163030195
2-(3,4-dimethoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
CID 102353918
1-methoxy-4-prop-1-enylbenzene
CID 67322568
(2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane
CID 100966838
benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate
CID 122376834
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol
CID 102237778
4-[(2S,3R)-3-(hydroxymethyl)-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162896019
(2R)-6-methoxy-2-phenylmethoxy-3,4-dihydro-2H-chromene
CID 164682445
dithiirane-3-thione;1-methoxy-4-prop-1-enylbenzene
CID 175445582
1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene
CID 145479406
4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine
CID 176924118

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).