(1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol

C18H26O3 — CID 102898677

IUPAC(1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
SMILESCc1cc([C@H](C)O)ccc1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C18H26O3/c1-13-11-15(14(2)19)5-6-17(13)20-12-16-7-10-18(21-16)8-3-4-9-18/h5-6,11,14,16,19H,3-4,7-10,12H2,1-2H3/t14-,16?/m0/s1
InChIKeyVEVLNCNPUPDCNP-LBAUFKAWSA-N
MW290.40 g/mol
LogP3.92
Rot. Bonds4

About (1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol

(1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol (PubChem CID 102898677) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
PubChem CID102898677
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
SMILESCc1cc([C@H](C)O)ccc1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C18H26O3/c1-13-11-15(14(2)19)5-6-17(13)20-12-16-7-10-18(21-16)8-3-4-9-18/h5-6,11,14,16,19H,3-4,7-10,12H2,1-2H3/t14-,16?/m0/s1
InChIKeyVEVLNCNPUPDCNP-LBAUFKAWSA-N
XLogP3.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol with MolForge

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Related Compounds

2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901535
3-methyl-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896191
1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
CID 102898614
2-[(5-bromo-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107284220
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanol
CID 104889574
2-[(2-bromo-4-methylphenoxy)methyl]-1-oxaspiro[4.5]decane
CID 102898163
[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol
CID 102898657
5-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102896216
1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896304
2-[(4-butan-2-ylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107668992
5-bromo-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102898225
2-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898755

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol (CID 102898677) is (1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol is Cc1cc([C@H](C)O)ccc1OCC1CCC2(CCCC2)O1.
What is the InChIKey of (1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol?
The InChIKey is VEVLNCNPUPDCNP-LBAUFKAWSA-N. The full InChI is InChI=1S/C18H26O3/c1-13-11-15(14(2)19)5-6-17(13)20-12-16-7-10-18(21-16)8-3-4-9-18/h5-6,11,14,16,19H,3-4,7-10,12H2,1-2H3/t14-,16?/m0/s1.
What are the key properties of (1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol?
(1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol has a molecular weight of 290.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 102898677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).