3-phenylmethoxyspiro[3.5]nonan-1-ol

C16H22O2 — CID 66366074

IUPAC3-phenylmethoxyspiro[3.5]nonan-1-ol
SMILESOC1CC(OCc2ccccc2)C12CCCCC2
InChIInChI=1S/C16H22O2/c17-14-11-15(16(14)9-5-2-6-10-16)18-12-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2
InChIKeyZHFGJQFJVBMZOO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.29
Rot. Bonds3

About 3-phenylmethoxyspiro[3.5]nonan-1-ol

3-phenylmethoxyspiro[3.5]nonan-1-ol (PubChem CID 66366074) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-phenylmethoxyspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-phenylmethoxyspiro[3.5]nonan-1-ol
PubChem CID66366074
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3-phenylmethoxyspiro[3.5]nonan-1-ol
SMILESOC1CC(OCc2ccccc2)C12CCCCC2
InChIInChI=1S/C16H22O2/c17-14-11-15(16(14)9-5-2-6-10-16)18-12-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2
InChIKeyZHFGJQFJVBMZOO-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol
CID 66345231
3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol
CID 82826223
(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol
CID 95396494
2-bromo-7-phenylmethoxyspiro[2.4]heptane
CID 165043739
7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457282
3-bromo-1-[(4-chlorophenyl)methoxy]spiro[3.6]decane
CID 66343727
(1S,4S)-2-tert-butyl-1-hydroxy-4-phenylmethoxy-2-azaspiro[4.5]decan-3-one
CID 11771893
1-[(3-bromophenyl)methoxy]-3-chlorospiro[3.5]nonane
CID 82825044
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane
CID 66344469

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxyspiro[3.5]nonan-1-ol?
The IUPAC name of 3-phenylmethoxyspiro[3.5]nonan-1-ol (CID 66366074) is 3-phenylmethoxyspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-phenylmethoxyspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-phenylmethoxyspiro[3.5]nonan-1-ol is OC1CC(OCc2ccccc2)C12CCCCC2.
What is the InChIKey of 3-phenylmethoxyspiro[3.5]nonan-1-ol?
The InChIKey is ZHFGJQFJVBMZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c17-14-11-15(16(14)9-5-2-6-10-16)18-12-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2.
What are the key properties of 3-phenylmethoxyspiro[3.5]nonan-1-ol?
3-phenylmethoxyspiro[3.5]nonan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxyspiro[3.5]nonan-1-ol is sourced from PubChem (CID 66366074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).