(2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane

C16H20O3 — CID 11521764

IUPAC(2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane
SMILESC=CCOC[C@@H]1C(=C)CO[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C16H20O3/c1-4-9-18-11-15-12(2)10-19-16(15)13-5-7-14(17-3)8-6-13/h4-8,15-16H,1-2,9-11H2,3H3/t15-,16+/m1/s1
InChIKeyAEPPJZYIKYHNSE-CVEARBPZSA-N
MW260.33 g/mol
LogP3.14
Rot. Bonds6

About (2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane

(2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane (PubChem CID 11521764) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane.

Molecular Properties

Compound Name(2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane
PubChem CID11521764
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane
SMILESC=CCOC[C@@H]1C(=C)CO[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C16H20O3/c1-4-9-18-11-15-12(2)10-19-16(15)13-5-7-14(17-3)8-6-13/h4-8,15-16H,1-2,9-11H2,3H3/t15-,16+/m1/s1
InChIKeyAEPPJZYIKYHNSE-CVEARBPZSA-N
XLogP3.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-bis(4-methoxyphenyl)-5-methylidene-1,4-dioxane
CID 11716583
4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol
CID 157340879
2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane
CID 18704700
5-[(4-methoxyphenyl)methyl]-2-[4-(2-prop-2-enoxyethoxy)phenyl]-1,3-dioxane
CID 139629207
2-(4-methoxyphenyl)oxolane-3-carbaldehyde
CID 2763136
[(1R,2S)-2-(4-methoxyphenyl)-4-methylidenecyclobutyl]methyl acetate
CID 155882877
2-(prop-2-enoxymethyl)oxirane;toluene
CID 174817749
[(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol
CID 46881734
(2R,3R)-2-bromo-3-(4-methoxyphenyl)-1,4-dioxane
CID 162408429
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
(2R,6R)-2-(4-methoxyphenyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran
CID 10728184

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane?
The IUPAC name of (2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane (CID 11521764) is (2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane.
What is the SMILES notation for (2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane?
The canonical SMILES for (2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane is C=CCOC[C@@H]1C(=C)CO[C@H]1c1ccc(OC)cc1.
What is the InChIKey of (2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane?
The InChIKey is AEPPJZYIKYHNSE-CVEARBPZSA-N. The full InChI is InChI=1S/C16H20O3/c1-4-9-18-11-15-12(2)10-19-16(15)13-5-7-14(17-3)8-6-13/h4-8,15-16H,1-2,9-11H2,3H3/t15-,16+/m1/s1.
What are the key properties of (2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane?
(2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane has a molecular weight of 260.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-methoxyphenyl)-4-methylidene-3-(prop-2-enoxymethyl)oxolane is sourced from PubChem (CID 11521764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).