4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol

C21H26O6 — CID 70849141

IUPAC4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
SMILESCOc1cc(C(C)C2COC(c3ccc(O)c(OC)c3)C2CO)ccc1O
InChIInChI=1S/C21H26O6/c1-12(13-4-6-17(23)19(8-13)25-2)16-11-27-21(15(16)10-22)14-5-7-18(24)20(9-14)26-3/h4-9,12,15-16,21-24H,10-11H2,1-3H3
InChIKeyFDGLNRPVARUZFV-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.21
Rot. Bonds6

About 4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol

4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol (PubChem CID 70849141) has the molecular formula C21H26O6 and a molecular weight of 374.43 g/mol. Its IUPAC name is 4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
PubChem CID70849141
Molecular FormulaC21H26O6
Molecular Weight374.43 g/mol
Exact Mass374.17
IUPAC Name4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
SMILESCOc1cc(C(C)C2COC(c3ccc(O)c(OC)c3)C2CO)ccc1O
InChIInChI=1S/C21H26O6/c1-12(13-4-6-17(23)19(8-13)25-2)16-11-27-21(15(16)10-22)14-5-7-18(24)20(9-14)26-3/h4-9,12,15-16,21-24H,10-11H2,1-3H3
InChIKeyFDGLNRPVARUZFV-UHFFFAOYSA-N
XLogP3.21
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-[(3S,4S,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]-(3,4,5-trimethoxyphenyl)methanol
CID 101145312
(S)-(3,4-dimethoxyphenyl)-[(3R,4S,5R)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol
CID 25233910
4-[(2R,3S,4R)-3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol
CID 42639502
4-[(2R,3S,4R)-3-(hydroxymethyl)-4-[(R)-(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol
CID 163186605
4-[3-(hydroxymethyl)-4-[(4-hydroxyphenyl)-methoxymethyl]oxolan-2-yl]phenol
CID 56682952
4-[3-(4-hydroxy-3-methoxyphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-yl]-2-methoxyphenol
CID 162838904
(3S,4S)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one;(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one;(3S,4S)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one;4-[[(3S,4S,5R)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol
CID 159825283
4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyphenol
CID 14655034
4-[(2R,5S,6S)-6-[(2S,5S,6R)-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-6-yl]-2-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-5-yl]-2,6-dimethoxyphenol
CID 162921704
5-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-3-methoxybenzene-1,2-diol
CID 163028163
4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol
CID 19009448
4-[(3S,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
CID 14134109

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol (CID 70849141) is 4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol is COc1cc(C(C)C2COC(c3ccc(O)c(OC)c3)C2CO)ccc1O.
What is the InChIKey of 4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol?
The InChIKey is FDGLNRPVARUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O6/c1-12(13-4-6-17(23)19(8-13)25-2)16-11-27-21(15(16)10-22)14-5-7-18(24)20(9-14)26-3/h4-9,12,15-16,21-24H,10-11H2,1-3H3.
What are the key properties of 4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol?
4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol has a molecular weight of 374.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol is sourced from PubChem (CID 70849141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).