1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol

C14H20F2O — CID 113435253

IUPAC1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol
SMILESCC(C)c1ccc(C(O)C(F)F)c(C(C)C)c1
InChIInChI=1S/C14H20F2O/c1-8(2)10-5-6-11(13(17)14(15)16)12(7-10)9(3)4/h5-9,13-14,17H,1-4H3
InChIKeyJDNSEQPYYDMSRM-UHFFFAOYSA-N
MW242.31 g/mol
LogP4.23
Rot. Bonds4

About 1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol

1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol (PubChem CID 113435253) has the molecular formula C14H20F2O and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol
PubChem CID113435253
Molecular FormulaC14H20F2O
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol
SMILESCC(C)c1ccc(C(O)C(F)F)c(C(C)C)c1
InChIInChI=1S/C14H20F2O/c1-8(2)10-5-6-11(13(17)14(15)16)12(7-10)9(3)4/h5-9,13-14,17H,1-4H3
InChIKeyJDNSEQPYYDMSRM-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol
CID 125467174
(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 25324257
2,4-di(propan-2-yl)phenol
CID 18048
1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene
CID 79660195
[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol
CID 14096565
1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol
CID 63427128
(1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol
CID 125466999
2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117345122
cyclohexyl-[2,4-di(propan-2-yl)phenyl]methanol
CID 63426584
(2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol
CID 63427004
[2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol
CID 61087925
1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
CID 114753381

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol?
The IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol (CID 113435253) is 1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol?
The canonical SMILES for 1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol is CC(C)c1ccc(C(O)C(F)F)c(C(C)C)c1.
What is the InChIKey of 1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol?
The InChIKey is JDNSEQPYYDMSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O/c1-8(2)10-5-6-11(13(17)14(15)16)12(7-10)9(3)4/h5-9,13-14,17H,1-4H3.
What are the key properties of 1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol?
1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol has a molecular weight of 242.31 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol is sourced from PubChem (CID 113435253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).