8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol

C17H23FO — CID 114819243

IUPAC8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol
SMILESCc1ccc(F)c(C2(O)CCC3(CCCC3)CC2)c1
InChIInChI=1S/C17H23FO/c1-13-4-5-15(18)14(12-13)17(19)10-8-16(9-11-17)6-2-3-7-16/h4-5,12,19H,2-3,6-11H2,1H3
InChIKeyMNHACZHUTCSYFQ-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.46
Rot. Bonds1

About 8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol

8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol (PubChem CID 114819243) has the molecular formula C17H23FO and a molecular weight of 262.37 g/mol. Its IUPAC name is 8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol
PubChem CID114819243
Molecular FormulaC17H23FO
Molecular Weight262.37 g/mol
Exact Mass262.17
IUPAC Name8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol
SMILESCc1ccc(F)c(C2(O)CCC3(CCCC3)CC2)c1
InChIInChI=1S/C17H23FO/c1-13-4-5-15(18)14(12-13)17(19)10-8-16(9-11-17)6-2-3-7-16/h4-5,12,19H,2-3,6-11H2,1H3
InChIKeyMNHACZHUTCSYFQ-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-5-methylphenyl)cyclopentan-1-ol
CID 62788885
4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol
CID 63406827
1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756729
1-ethyl-4-(2-fluoro-5-methylphenyl)azepan-4-ol
CID 65077601
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352
1-(5-chloro-2-fluorophenyl)cyclopentan-1-ol
CID 83384980
1-(2,5-dimethylphenyl)cycloheptan-1-ol
CID 62548506
1-(3-fluoro-2,5-dimethylphenyl)cyclopropan-1-ol
CID 84768148
2-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol
CID 55186000
1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol
CID 171367787
8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol
CID 114819189
8-azaspiro[4.5]decan-8-yl-(2-fluoro-5-methylphenyl)methanone
CID 63159253

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol?
The IUPAC name of 8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol (CID 114819243) is 8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol?
The canonical SMILES for 8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol is Cc1ccc(F)c(C2(O)CCC3(CCCC3)CC2)c1.
What is the InChIKey of 8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol?
The InChIKey is MNHACZHUTCSYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO/c1-13-4-5-15(18)14(12-13)17(19)10-8-16(9-11-17)6-2-3-7-16/h4-5,12,19H,2-3,6-11H2,1H3.
What are the key properties of 8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol?
8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol has a molecular weight of 262.37 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol is sourced from PubChem (CID 114819243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).