(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol

C17H25FO2 — CID 107128630

IUPAC(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol
SMILESCCOC1(C(O)c2ccc(C)c(F)c2)CCCCCC1
InChIInChI=1S/C17H25FO2/c1-3-20-17(10-6-4-5-7-11-17)16(19)14-9-8-13(2)15(18)12-14/h8-9,12,16,19H,3-7,10-11H2,1-2H3
InChIKeyXNOOOSGSVGMANR-UHFFFAOYSA-N
MW280.38 g/mol
LogP4.30
Rot. Bonds4

About (1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol

(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol (PubChem CID 107128630) has the molecular formula C17H25FO2 and a molecular weight of 280.38 g/mol. Its IUPAC name is (1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol
PubChem CID107128630
Molecular FormulaC17H25FO2
Molecular Weight280.38 g/mol
Exact Mass280.18
IUPAC Name(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol
SMILESCCOC1(C(O)c2ccc(C)c(F)c2)CCCCCC1
InChIInChI=1S/C17H25FO2/c1-3-20-17(10-6-4-5-7-11-17)16(19)14-9-8-13(2)15(18)12-14/h8-9,12,16,19H,3-7,10-11H2,1-2H3
InChIKeyXNOOOSGSVGMANR-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol
CID 107128604
[(1-ethoxycyclohexyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130905
(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 116756092
(1-ethoxycyclopentyl)-(4-methylphenyl)methanol
CID 116753072
(1-ethoxycyclohexyl)-(3-fluoro-5-methylphenyl)methanol
CID 116753671
(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol
CID 116756160
(5-bromo-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753761
(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753618
(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methanol
CID 116753536
(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
CID 116753198
(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753674
(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methanol
CID 116753621

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol?
The IUPAC name of (1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol (CID 107128630) is (1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol is CCOC1(C(O)c2ccc(C)c(F)c2)CCCCCC1.
What is the InChIKey of (1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol?
The InChIKey is XNOOOSGSVGMANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO2/c1-3-20-17(10-6-4-5-7-11-17)16(19)14-9-8-13(2)15(18)12-14/h8-9,12,16,19H,3-7,10-11H2,1-2H3.
What are the key properties of (1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol?
(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol has a molecular weight of 280.38 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 107128630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).