4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid

C15H19FO3 — CID 63075026

IUPAC4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(COCC2CCCCC2)c(F)c1
InChIInChI=1S/C15H19FO3/c16-14-8-12(15(17)18)6-7-13(14)10-19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,17,18)
InChIKeyRXSPVDPRKKDQFJ-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.62
Rot. Bonds5

About 4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid

4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid (PubChem CID 63075026) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid
PubChem CID63075026
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(COCC2CCCCC2)c(F)c1
InChIInChI=1S/C15H19FO3/c16-14-8-12(15(17)18)6-7-13(14)10-19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,17,18)
InChIKeyRXSPVDPRKKDQFJ-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarbothioamide
CID 66321774
4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide
CID 66321784
3-bromo-4-(cyclopropylmethoxymethyl)benzoic acid
CID 102765407
4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid
CID 106698414
4-[(2-ethylcyclohexyl)oxymethyl]-3-fluorobenzoic acid
CID 63073948
4-[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]but-3-yn-1-ol
CID 62383213
4-(cyclopentylsulfanylmethyl)-3-fluorobenzoic acid
CID 55179254
3-fluoro-4-(3-phenylpropoxymethyl)benzoic acid
CID 63073302
1-[4-(aminomethyl)-3-fluorophenyl]-2-cycloheptylethanone;4-cyano-3-fluorobenzoic acid;4-(2-cycloheptylacetyl)-2-fluorobenzonitrile
CID 158388412
3-fluoro-4-(oxan-4-ylmethoxymethyl)benzenecarbothioamide
CID 62384281
3-(2-cyclopropylethoxymethyl)-4-fluorobenzoic acid
CID 106199330
4-[(2-bromophenyl)methoxymethyl]-3-fluorobenzoic acid
CID 82825751

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid?
The IUPAC name of 4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid (CID 63075026) is 4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid is O=C(O)c1ccc(COCC2CCCCC2)c(F)c1.
What is the InChIKey of 4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid?
The InChIKey is RXSPVDPRKKDQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c16-14-8-12(15(17)18)6-7-13(14)10-19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,17,18).
What are the key properties of 4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid?
4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid has a molecular weight of 266.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid is sourced from PubChem (CID 63075026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).