1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol

C17H22F2O3 — CID 68754552

IUPAC1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol
SMILESOC1(c2ccc(OC(F)F)c(OCC3CC3)c2)CCCCC1
InChIInChI=1S/C17H22F2O3/c18-16(19)22-14-7-6-13(17(20)8-2-1-3-9-17)10-15(14)21-11-12-4-5-12/h6-7,10,12,16,20H,1-5,8-9,11H2
InChIKeyXSBBHDQYIPOBOC-UHFFFAOYSA-N
MW312.36 g/mol
LogP4.23
Rot. Bonds6

About 1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol

1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol (PubChem CID 68754552) has the molecular formula C17H22F2O3 and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol
PubChem CID68754552
Molecular FormulaC17H22F2O3
Molecular Weight312.36 g/mol
Exact Mass312.15
IUPAC Name1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol
SMILESOC1(c2ccc(OC(F)F)c(OCC3CC3)c2)CCCCC1
InChIInChI=1S/C17H22F2O3/c18-16(19)22-14-7-6-13(17(20)8-2-1-3-9-17)10-15(14)21-11-12-4-5-12/h6-7,10,12,16,20H,1-5,8-9,11H2
InChIKeyXSBBHDQYIPOBOC-UHFFFAOYSA-N
XLogP4.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol?
The IUPAC name of 1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol (CID 68754552) is 1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol is OC1(c2ccc(OC(F)F)c(OCC3CC3)c2)CCCCC1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol?
The InChIKey is XSBBHDQYIPOBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2O3/c18-16(19)22-14-7-6-13(17(20)8-2-1-3-9-17)10-15(14)21-11-12-4-5-12/h6-7,10,12,16,20H,1-5,8-9,11H2.
What are the key properties of 1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol?
1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol has a molecular weight of 312.36 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 68754552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).