[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol

C16H22O5 — CID 79898781

IUPAC[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C16H22O5/c1-18-14-3-2-12(10-17)8-15(14)21-13-4-6-20-16(9-13)5-7-19-11-16/h2-3,8,13,17H,4-7,9-11H2,1H3
InChIKeyRSGIPBMFNXOZTK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.90
Rot. Bonds4

About [3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol

[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol (PubChem CID 79898781) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is [3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol
PubChem CID79898781
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C16H22O5/c1-18-14-3-2-12(10-17)8-15(14)21-13-4-6-20-16(9-13)5-7-19-11-16/h2-3,8,13,17H,4-7,9-11H2,1H3
InChIKeyRSGIPBMFNXOZTK-UHFFFAOYSA-N
XLogP1.90
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methoxyphenyl]methanol
CID 79898778
[4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol
CID 107690992
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
CID 79904832
[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol
CID 79899358
[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79894680
9-[2-(bromomethyl)-4-fluorophenoxy]-2,6-dioxaspiro[4.5]decane
CID 107699125
1-[5-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanone
CID 79901655
2-[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanimidamide
CID 79902475
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenyl]ethanamine
CID 79908450
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-methylpyridin-2-amine
CID 79905053
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-fluorobenzoic acid
CID 107690082

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol?
The IUPAC name of [3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol (CID 79898781) is [3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol?
The canonical SMILES for [3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol is COc1ccc(CO)cc1OC1CCOC2(CCOC2)C1.
What is the InChIKey of [3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol?
The InChIKey is RSGIPBMFNXOZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-18-14-3-2-12(10-17)8-15(14)21-13-4-6-20-16(9-13)5-7-19-11-16/h2-3,8,13,17H,4-7,9-11H2,1H3.
What are the key properties of [3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol?
[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol has a molecular weight of 294.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol is sourced from PubChem (CID 79898781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).