1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol

C16H22O2 — CID 134987886

IUPAC1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol
SMILESCC1C2(CCCCC2)C1(O)OCc1ccccc1
InChIInChI=1S/C16H22O2/c1-13-15(10-6-3-7-11-15)16(13,17)18-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,17H,3,6-7,10-12H2,1H3
InChIKeyQORGDWRKPRPEPV-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.49
Rot. Bonds3

About 1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol

1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol (PubChem CID 134987886) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol.

Molecular Properties

Compound Name1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol
PubChem CID134987886
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol
SMILESCC1C2(CCCCC2)C1(O)OCc1ccccc1
InChIInChI=1S/C16H22O2/c1-13-15(10-6-3-7-11-15)16(13,17)18-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,17H,3,6-7,10-12H2,1H3
InChIKeyQORGDWRKPRPEPV-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-phenylmethoxycyclohexyl)acetaldehyde
CID 115039002
[1-(iodomethyl)cyclohexyl]oxymethylbenzene
CID 114772517
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
2-(1-phenylmethoxycycloheptyl)ethanamine
CID 115046142
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
1-phenylmethoxycyclopentane-1-carbonitrile
CID 174519506
benzyl 1-formylcyclohexane-1-carboxylate
CID 18623884
1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane
CID 143504633

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol?
The IUPAC name of 1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol (CID 134987886) is 1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol.
What is the SMILES notation for 1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol?
The canonical SMILES for 1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol is CC1C2(CCCCC2)C1(O)OCc1ccccc1.
What is the InChIKey of 1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol?
The InChIKey is QORGDWRKPRPEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-13-15(10-6-3-7-11-15)16(13,17)18-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,17H,3,6-7,10-12H2,1H3.
What are the key properties of 1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol?
1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol has a molecular weight of 246.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol is sourced from PubChem (CID 134987886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).