8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol

C24H28F2O4 — CID 126546861

IUPAC8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC(Cc1cc(F)c(OCc2ccccc2)cc1F)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C24H28F2O4/c1-17(23(27)7-9-24(10-8-23)29-11-12-30-24)13-19-14-21(26)22(15-20(19)25)28-16-18-5-3-2-4-6-18/h2-6,14-15,17,27H,7-13,16H2,1H3
InChIKeyLDRAAYHHFVJWSI-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.77
Rot. Bonds6

About 8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol

8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 126546861) has the molecular formula C24H28F2O4 and a molecular weight of 418.48 g/mol. Its IUPAC name is 8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID126546861
Molecular FormulaC24H28F2O4
Molecular Weight418.48 g/mol
Exact Mass418.20
IUPAC Name8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC(Cc1cc(F)c(OCc2ccccc2)cc1F)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C24H28F2O4/c1-17(23(27)7-9-24(10-8-23)29-11-12-30-24)13-19-14-21(26)22(15-20(19)25)28-16-18-5-3-2-4-6-18/h2-6,14-15,17,27H,7-13,16H2,1H3
InChIKeyLDRAAYHHFVJWSI-UHFFFAOYSA-N
XLogP4.77
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol with MolForge

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Related Compounds

8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 70007611
(4,5-difluoro-2-phenylmethoxyphenyl)methanol
CID 130119023
2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid
CID 155588671
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
CID 117459786
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 70863911
5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
CID 16754043
1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol
CID 170744433
2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 541841
prop-2-enyl (3aR,5R)-3a-[(2S)-1-(2-fluoro-4-methyl-5-phenylmethoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydro-1,3-benzodioxole-5-carboxylate
CID 126545411
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol (CID 126546861) is 8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol is CC(Cc1cc(F)c(OCc2ccccc2)cc1F)C1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is LDRAAYHHFVJWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2O4/c1-17(23(27)7-9-24(10-8-23)29-11-12-30-24)13-19-14-21(26)22(15-20(19)25)28-16-18-5-3-2-4-6-18/h2-6,14-15,17,27H,7-13,16H2,1H3.
What are the key properties of 8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 418.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 126546861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).