[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol

C17H24O4 — CID 102898609

IUPAC[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
SMILESCOc1cccc(CO)c1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C17H24O4/c1-19-15-6-4-5-13(11-18)16(15)20-12-14-7-10-17(21-14)8-2-3-9-17/h4-6,14,18H,2-3,7-12H2,1H3
InChIKeyCHTSIVBCQQPIOU-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.06
Rot. Bonds5

About [3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol

[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol (PubChem CID 102898609) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is [3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
PubChem CID102898609
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Name[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
SMILESCOc1cccc(CO)c1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C17H24O4/c1-19-15-6-4-5-13(11-18)16(15)20-12-14-7-10-17(21-14)8-2-3-9-17/h4-6,14,18H,2-3,7-12H2,1H3
InChIKeyCHTSIVBCQQPIOU-UHFFFAOYSA-N
XLogP3.06
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 102898668
[3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898673
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898603
[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43471574
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490
[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 107698517
[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol
CID 102898657
2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898765
1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
CID 102898614
2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102896577
2-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898755
2-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898749

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol?
The IUPAC name of [3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol (CID 102898609) is [3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol is COc1cccc(CO)c1OCC1CCC2(CCCC2)O1.
What is the InChIKey of [3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol?
The InChIKey is CHTSIVBCQQPIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-19-15-6-4-5-13(11-18)16(15)20-12-14-7-10-17(21-14)8-2-3-9-17/h4-6,14,18H,2-3,7-12H2,1H3.
What are the key properties of [3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol?
[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol has a molecular weight of 292.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 102898609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).