4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol

C19H20F2O3 — CID 134300002

IUPAC4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol
SMILESOc1ccc(OC2C(OCc3ccccc3)CCCC2(F)F)cc1
InChIInChI=1S/C19H20F2O3/c20-19(21)12-4-7-17(23-13-14-5-2-1-3-6-14)18(19)24-16-10-8-15(22)9-11-16/h1-3,5-6,8-11,17-18,22H,4,7,12-13H2
InChIKeyBRJYYRAPFFADOT-UHFFFAOYSA-N
MW334.36 g/mol
LogP4.54
Rot. Bonds5

About 4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol

4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol (PubChem CID 134300002) has the molecular formula C19H20F2O3 and a molecular weight of 334.36 g/mol. Its IUPAC name is 4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol.

Molecular Properties

Compound Name4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol
PubChem CID134300002
Molecular FormulaC19H20F2O3
Molecular Weight334.36 g/mol
Exact Mass334.14
IUPAC Name4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol
SMILESOc1ccc(OC2C(OCc3ccccc3)CCCC2(F)F)cc1
InChIInChI=1S/C19H20F2O3/c20-19(21)12-4-7-17(23-13-14-5-2-1-3-6-14)18(19)24-16-10-8-15(22)9-11-16/h1-3,5-6,8-11,17-18,22H,4,7,12-13H2
InChIKeyBRJYYRAPFFADOT-UHFFFAOYSA-N
XLogP4.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,5S,6R)-2,2-difluoro-5,6-bis(phenylmethoxy)cyclohexyl]oxy-4-phenylmethoxybenzene
CID 134300020
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
(3S)-3-phenylmethoxyoxan-2-ol
CID 10608436
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
2-(7a-methyl-4-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)propan-1-ol
CID 139704667
4-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyphenol
CID 134277169
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
(1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol
CID 15936956

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol?
The IUPAC name of 4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol (CID 134300002) is 4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol.
What is the SMILES notation for 4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol?
The canonical SMILES for 4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol is Oc1ccc(OC2C(OCc3ccccc3)CCCC2(F)F)cc1.
What is the InChIKey of 4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol?
The InChIKey is BRJYYRAPFFADOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O3/c20-19(21)12-4-7-17(23-13-14-5-2-1-3-6-14)18(19)24-16-10-8-15(22)9-11-16/h1-3,5-6,8-11,17-18,22H,4,7,12-13H2.
What are the key properties of 4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol?
4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol has a molecular weight of 334.36 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-6-phenylmethoxycyclohexyl)oxyphenol is sourced from PubChem (CID 134300002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).