1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol

C14H20F2O2 — CID 83158840

IUPAC1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2O2/c1-10(2)4-3-5-13(17)11-6-8-12(9-7-11)18-14(15)16/h6-10,13-14,17H,3-5H2,1-2H3
InChIKeyUURZIFIFRVUJKG-UHFFFAOYSA-N
MW258.31 g/mol
LogP4.15
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol

1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol (PubChem CID 83158840) has the molecular formula C14H20F2O2 and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
PubChem CID83158840
Molecular FormulaC14H20F2O2
Molecular Weight258.31 g/mol
Exact Mass258.14
IUPAC Name1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2O2/c1-10(2)4-3-5-13(17)11-6-8-12(9-7-11)18-14(15)16/h6-10,13-14,17H,3-5H2,1-2H3
InChIKeyUURZIFIFRVUJKG-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol
CID 64568016
1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol
CID 65150516
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(4-methylpentyl)guanidine
CID 109494657
1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
CID 166194503
1-(4-aminophenyl)-5-methylhexan-1-ol
CID 106695506
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
5-methyl-1-phenylhexan-1-ol
CID 10997859
1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol
CID 63017905
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
(1S,2R)-2-amino-1-[4-(difluoromethoxy)phenyl]propan-1-ol
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1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol (CID 83158840) is 1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol is CC(C)CCCC(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol?
The InChIKey is UURZIFIFRVUJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O2/c1-10(2)4-3-5-13(17)11-6-8-12(9-7-11)18-14(15)16/h6-10,13-14,17H,3-5H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol?
1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol has a molecular weight of 258.31 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol is sourced from PubChem (CID 83158840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).