3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol

C16H22O5 — CID 175912439

IUPAC3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCOc1ccc(C2COC3(CCC(O)CC3)O2)cc1OC
InChIInChI=1S/C16H22O5/c1-18-13-4-3-11(9-14(13)19-2)15-10-20-16(21-15)7-5-12(17)6-8-16/h3-4,9,12,15,17H,5-8,10H2,1-2H3
InChIKeyYMUHJIBGBDVPCD-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.42
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol

3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 175912439) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID175912439
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCOc1ccc(C2COC3(CCC(O)CC3)O2)cc1OC
InChIInChI=1S/C16H22O5/c1-18-13-4-3-11(9-14(13)19-2)15-10-20-16(21-15)7-5-12(17)6-8-16/h3-4,9,12,15,17H,5-8,10H2,1-2H3
InChIKeyYMUHJIBGBDVPCD-UHFFFAOYSA-N
XLogP2.42
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol
CID 82024499
2,5-bis(3,4-dimethoxyphenyl)oxolane
CID 13491508
2-(3,4-dimethoxyphenyl)-6-methyl-1,4-oxazepane
CID 65035548
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
(2S,4R,6R)-2-(3,4-dimethoxyphenyl)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-7-oxa-1-azabicyclo[2.2.1]heptane
CID 56590662
1-(3,4-dimethoxyphenyl)-4-hydroxycyclohexane-1-carboxylate
CID 6954487
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane
CID 62517905
[4-[(1R,3aR,4S,6aS)-4-(4-acetyloxy-3-methoxyphenyl)-3,6-dioxo-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl] acetate
CID 9498525
[4-[4-(4-acetyloxy-3-methoxyphenyl)-3,6-dioxo-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl] acetate
CID 5064558
(1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol
CID 11973047
2-methoxy-4-(oxolan-2-yl)phenol
CID 70616633

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 175912439) is 3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol is COc1ccc(C2COC3(CCC(O)CC3)O2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is YMUHJIBGBDVPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-18-13-4-3-11(9-14(13)19-2)15-10-20-16(21-15)7-5-12(17)6-8-16/h3-4,9,12,15,17H,5-8,10H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 294.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 175912439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).