(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol

C16H22F2O2 — CID 116756092

IUPAC(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol
SMILESCCOC1(C(O)c2cc(F)cc(F)c2)CCCCCC1
InChIInChI=1S/C16H22F2O2/c1-2-20-16(7-5-3-4-6-8-16)15(19)12-9-13(17)11-14(18)10-12/h9-11,15,19H,2-8H2,1H3
InChIKeySWLARKKIIYQZPS-UHFFFAOYSA-N
MW284.35 g/mol
LogP4.13
Rot. Bonds4

About (3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol

(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol (PubChem CID 116756092) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol
PubChem CID116756092
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol
SMILESCCOC1(C(O)c2cc(F)cc(F)c2)CCCCCC1
InChIInChI=1S/C16H22F2O2/c1-2-20-16(7-5-3-4-6-8-16)15(19)12-9-13(17)11-14(18)10-12/h9-11,15,19H,2-8H2,1H3
InChIKeySWLARKKIIYQZPS-UHFFFAOYSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxycyclohexyl)-(3-fluoro-5-methylphenyl)methanol
CID 116753671
(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol
CID 116756160
(3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol
CID 116710430
(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128630
(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 105394608
(1-ethoxycyclopentyl)-(4-methylphenyl)methanol
CID 116753072
(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methanol
CID 116753621
(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753618
(3-bromo-2,6-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 106942119
(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753761
(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753674
(1-ethoxycyclohexyl)-(1-ethylpyrazol-4-yl)methanol
CID 116753795

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol?
The IUPAC name of (3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol (CID 116756092) is (3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol.
What is the SMILES notation for (3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol?
The canonical SMILES for (3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol is CCOC1(C(O)c2cc(F)cc(F)c2)CCCCCC1.
What is the InChIKey of (3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol?
The InChIKey is SWLARKKIIYQZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O2/c1-2-20-16(7-5-3-4-6-8-16)15(19)12-9-13(17)11-14(18)10-12/h9-11,15,19H,2-8H2,1H3.
What are the key properties of (3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol?
(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol has a molecular weight of 284.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol is sourced from PubChem (CID 116756092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).