2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol

C15H21FO3 — CID 107720122

IUPAC2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol
SMILESC[C@@H](O)c1ccc(OC2CCCCCC2O)cc1F
InChIInChI=1S/C15H21FO3/c1-10(17)12-8-7-11(9-13(12)16)19-15-6-4-2-3-5-14(15)18/h7-10,14-15,17-18H,2-6H2,1H3/t10-,14?,15?/m1/s1
InChIKeyLQWWZRXGHQQYDC-SFNBMPIDSA-N
MW268.33 g/mol
LogP2.95
Rot. Bonds3

About 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol

2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol (PubChem CID 107720122) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol
PubChem CID107720122
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol
SMILESC[C@@H](O)c1ccc(OC2CCCCCC2O)cc1F
InChIInChI=1S/C15H21FO3/c1-10(17)12-8-7-11(9-13(12)16)19-15-6-4-2-3-5-14(15)18/h7-10,14-15,17-18H,2-6H2,1H3/t10-,14?,15?/m1/s1
InChIKeyLQWWZRXGHQQYDC-SFNBMPIDSA-N
XLogP2.95
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041
2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol
CID 63472880
trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol
CID 102732681
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 63651051
N-cyclopentyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
CID 107719756
2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 83234151
trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532
(1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 107719943
(1R)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethanol
CID 107720298
4-[4-(1-aminoethyl)-3-fluorophenoxy]-1,1-dioxothiolan-3-ol
CID 107716005
cis-(1S,2R)-2-[4-[[(1S)-1-(3,5-difluorophenyl)ethyl]amino]phenoxy]cyclohexan-1-ol
CID 124744406

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol?
The IUPAC name of 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol (CID 107720122) is 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol.
What is the SMILES notation for 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol?
The canonical SMILES for 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol is C[C@@H](O)c1ccc(OC2CCCCCC2O)cc1F.
What is the InChIKey of 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol?
The InChIKey is LQWWZRXGHQQYDC-SFNBMPIDSA-N. The full InChI is InChI=1S/C15H21FO3/c1-10(17)12-8-7-11(9-13(12)16)19-15-6-4-2-3-5-14(15)18/h7-10,14-15,17-18H,2-6H2,1H3/t10-,14?,15?/m1/s1.
What are the key properties of 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol?
2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol has a molecular weight of 268.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol is sourced from PubChem (CID 107720122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).