3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol

C15H21FO2 — CID 113453697

IUPAC3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol
SMILESCCC1CCC(O)(Cc2cccc(OC)c2F)C1
InChIInChI=1S/C15H21FO2/c1-3-11-7-8-15(17,9-11)10-12-5-4-6-13(18-2)14(12)16/h4-6,11,17H,3,7-10H2,1-2H3
InChIKeyNJLOCSQXNQDRBJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.32
Rot. Bonds4

About 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol

3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol (PubChem CID 113453697) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol
PubChem CID113453697
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol
SMILESCCC1CCC(O)(Cc2cccc(OC)c2F)C1
InChIInChI=1S/C15H21FO2/c1-3-11-7-8-15(17,9-11)10-12-5-4-6-13(18-2)14(12)16/h4-6,11,17H,3,7-10H2,1-2H3
InChIKeyNJLOCSQXNQDRBJ-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 104792990
4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol
CID 104793164
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 104795403
1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147733
1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64513612
1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol
CID 104793153
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64514304
1-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoro-3-methoxybenzene
CID 104795473
3-ethyl-1-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64514568
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 104794707
3-ethyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-ol
CID 65149221

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol?
The IUPAC name of 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol (CID 113453697) is 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol is CCC1CCC(O)(Cc2cccc(OC)c2F)C1.
What is the InChIKey of 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol?
The InChIKey is NJLOCSQXNQDRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-3-11-7-8-15(17,9-11)10-12-5-4-6-13(18-2)14(12)16/h4-6,11,17H,3,7-10H2,1-2H3.
What are the key properties of 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol?
3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 113453697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).