4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one

C23H28O8 — CID 73029055

IUPAC4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one
SMILESCOc1cc(C(c2cc(OC)c(OC)c(OC)c2)C2COC(=O)C2C)cc(OC)c1O
InChIInChI=1S/C23H28O8/c1-12-15(11-31-23(12)25)20(13-7-16(26-2)21(24)17(8-13)27-3)14-9-18(28-4)22(30-6)19(10-14)29-5/h7-10,12,15,20,24H,11H2,1-6H3
InChIKeyVGMOUMWYTMZSAT-UHFFFAOYSA-N
MW432.47 g/mol
LogP3.38
Rot. Bonds8

About 4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one

4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one (PubChem CID 73029055) has the molecular formula C23H28O8 and a molecular weight of 432.47 g/mol. Its IUPAC name is 4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one.

Molecular Properties

Compound Name4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one
PubChem CID73029055
Molecular FormulaC23H28O8
Molecular Weight432.47 g/mol
Exact Mass432.18
IUPAC Name4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one
SMILESCOc1cc(C(c2cc(OC)c(OC)c(OC)c2)C2COC(=O)C2C)cc(OC)c1O
InChIInChI=1S/C23H28O8/c1-12-15(11-31-23(12)25)20(13-7-16(26-2)21(24)17(8-13)27-3)14-9-18(28-4)22(30-6)19(10-14)29-5/h7-10,12,15,20,24H,11H2,1-6H3
InChIKeyVGMOUMWYTMZSAT-UHFFFAOYSA-N
XLogP3.38
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3S,4S)-4-[bis(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one
CID 10917283
(3R,4S)-4-[bis(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one
CID 122205764
(3S,4S)-4-[(S)-(7-methoxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one
CID 14541875
(3S,4S)-4-[(S)-(3-hydroxy-4,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one
CID 162922568
4-[bis(3,4,5-trimethoxyphenyl)methyl]-3-(bromomethyl)oxolan-2-one
CID 19611747
(3S,4R)-4-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 101250001
(3S,4R)-3,4-bis[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 163025689
methyl (3S,4R)-2-oxo-4-[(R)-phenylmethoxy-(3,4,5-trimethoxyphenyl)methyl]oxolane-3-carboxylate
CID 177490164
4-[(3S,3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
CID 44555396
(3R,4R)-3,4-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one
CID 11633104
(3R)-3-[(S)-(6-hydroxy-1,3-benzodioxol-5-yl)-(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolane-2,4-dione
CID 7584095
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one?
The IUPAC name of 4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one (CID 73029055) is 4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one.
What is the SMILES notation for 4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one?
The canonical SMILES for 4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one is COc1cc(C(c2cc(OC)c(OC)c(OC)c2)C2COC(=O)C2C)cc(OC)c1O.
What is the InChIKey of 4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one?
The InChIKey is VGMOUMWYTMZSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O8/c1-12-15(11-31-23(12)25)20(13-7-16(26-2)21(24)17(8-13)27-3)14-9-18(28-4)22(30-6)19(10-14)29-5/h7-10,12,15,20,24H,11H2,1-6H3.
What are the key properties of 4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one?
4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one has a molecular weight of 432.47 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one is sourced from PubChem (CID 73029055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).