1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol

C18H18F2O2 — CID 10709619

IUPAC1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
SMILESOC1(c2ccc(F)cc2)CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18F2O2/c19-15-5-1-13(2-6-15)17(21)9-11-18(22,12-10-17)14-3-7-16(20)8-4-14/h1-8,21-22H,9-12H2
InChIKeyVJSBUBCCKOMQHA-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.61
Rot. Bonds2

About 1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol

1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol (PubChem CID 10709619) has the molecular formula C18H18F2O2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol.

Molecular Properties

Compound Name1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
PubChem CID10709619
Molecular FormulaC18H18F2O2
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
SMILESOC1(c2ccc(F)cc2)CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18F2O2/c19-15-5-1-13(2-6-15)17(21)9-11-18(22,12-10-17)14-3-7-16(20)8-4-14/h1-8,21-22H,9-12H2
InChIKeyVJSBUBCCKOMQHA-UHFFFAOYSA-N
XLogP3.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,4S)-1,4-bis(4-fluorophenyl)cycloheptane-1,4-diol
CID 101158460
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CID 58721778
3-(4-fluorophenyl)piperidin-3-ol
CID 10198053
3-(4-fluorophenyl)thian-3-ol
CID 83689164
1-(4-aminophenyl)cyclopropan-1-ol
CID 84649311
4-(4-fluorophenyl)-1-propan-2-ylazepan-4-ol
CID 65077824
ethane;1-(4-methylphenyl)cyclopropan-1-ol
CID 178045850
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 110214267
cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid
CID 99996064
3-(4-fluorophenyl)-6-methylthian-3-ol
CID 131251161
(3S,6R)-3-(4-fluorophenyl)-6-methylthian-3-ol
CID 125427250

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol?
The IUPAC name of 1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol (CID 10709619) is 1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol.
What is the SMILES notation for 1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol?
The canonical SMILES for 1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol is OC1(c2ccc(F)cc2)CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol?
The InChIKey is VJSBUBCCKOMQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O2/c19-15-5-1-13(2-6-15)17(21)9-11-18(22,12-10-17)14-3-7-16(20)8-4-14/h1-8,21-22H,9-12H2.
What are the key properties of 1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol?
1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol has a molecular weight of 304.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol is sourced from PubChem (CID 10709619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).