[(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol

C21H24O5 — CID 46881734

IUPAC[(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol
SMILESCOc1ccc(/C=C2\CO[C@@H](c3cc(OC)cc(OC)c3)[C@@H]2CO)cc1
InChIInChI=1S/C21H24O5/c1-23-17-6-4-14(5-7-17)8-16-13-26-21(20(16)12-22)15-9-18(24-2)11-19(10-15)25-3/h4-11,20-22H,12-13H2,1-3H3/b16-8+/t20-,21+/m1/s1
InChIKeyIPXWZYMNCUNLJQ-XCPYJBIRSA-N
MW356.42 g/mol
LogP3.48
Rot. Bonds6

About [(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol

[(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol (PubChem CID 46881734) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is [(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol
PubChem CID46881734
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name[(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol
SMILESCOc1ccc(/C=C2\CO[C@@H](c3cc(OC)cc(OC)c3)[C@@H]2CO)cc1
InChIInChI=1S/C21H24O5/c1-23-17-6-4-14(5-7-17)8-16-13-26-21(20(16)12-22)15-9-18(24-2)11-19(10-15)25-3/h4-11,20-22H,12-13H2,1-3H3/b16-8+/t20-,21+/m1/s1
InChIKeyIPXWZYMNCUNLJQ-XCPYJBIRSA-N
XLogP3.48
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol?
The IUPAC name of [(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol (CID 46881734) is [(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol.
What is the SMILES notation for [(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol?
The canonical SMILES for [(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol is COc1ccc(/C=C2\CO[C@@H](c3cc(OC)cc(OC)c3)[C@@H]2CO)cc1.
What is the InChIKey of [(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol?
The InChIKey is IPXWZYMNCUNLJQ-XCPYJBIRSA-N. The full InChI is InChI=1S/C21H24O5/c1-23-17-6-4-14(5-7-17)8-16-13-26-21(20(16)12-22)15-9-18(24-2)11-19(10-15)25-3/h4-11,20-22H,12-13H2,1-3H3/b16-8+/t20-,21+/m1/s1.
What are the key properties of [(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol?
[(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol has a molecular weight of 356.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]methanol is sourced from PubChem (CID 46881734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).