[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol

C14H18F2O2 — CID 139623977

IUPAC[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol
SMILESOCC1CCC(COc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H18F2O2/c15-13-6-5-12(7-14(13)16)18-9-11-3-1-10(8-17)2-4-11/h5-7,10-11,17H,1-4,8-9H2
InChIKeyFEBWBAQPJBNPJJ-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.14
Rot. Bonds4

About [4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol

[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol (PubChem CID 139623977) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is [4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol
PubChem CID139623977
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol
SMILESOCC1CCC(COc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H18F2O2/c15-13-6-5-12(7-14(13)16)18-9-11-3-1-10(8-17)2-4-11/h5-7,10-11,17H,1-4,8-9H2
InChIKeyFEBWBAQPJBNPJJ-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine
CID 86317833
1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
CID 107715743
4-[(3,4-difluorophenoxy)methyl]-1-(4-fluorobutyl)silinane
CID 54732591
4-(cyclopropylmethoxy)-2-(difluoromethoxy)-1-fluorobenzene
CID 141339892
2-[(3,4-difluorophenoxy)methyl]cyclopropan-1-amine
CID 112547463
4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane
CID 142580919
[4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid
CID 65203320
[5-(cyclopropylmethoxy)-3-fluoro-2-pyridinyl]methanol
CID 58047152
(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen
CID 142361370
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol?
The IUPAC name of [4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol (CID 139623977) is [4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol?
The canonical SMILES for [4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol is OCC1CCC(COc2ccc(F)c(F)c2)CC1.
What is the InChIKey of [4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol?
The InChIKey is FEBWBAQPJBNPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c15-13-6-5-12(7-14(13)16)18-9-11-3-1-10(8-17)2-4-11/h5-7,10-11,17H,1-4,8-9H2.
What are the key properties of [4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol?
[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol has a molecular weight of 256.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol is sourced from PubChem (CID 139623977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).