4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C16H21FO2 — CID 114715684

IUPAC4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCCC1CCC2(CC1)CC(O)c1ccc(F)cc1O2
InChIInChI=1S/C16H21FO2/c1-2-11-5-7-16(8-6-11)10-14(18)13-4-3-12(17)9-15(13)19-16/h3-4,9,11,14,18H,2,5-8,10H2,1H3
InChIKeyBWUFCPGLCYJOKC-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.98
Rot. Bonds1

About 4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 114715684) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID114715684
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCCC1CCC2(CC1)CC(O)c1ccc(F)cc1O2
InChIInChI=1S/C16H21FO2/c1-2-11-5-7-16(8-6-11)10-14(18)13-4-3-12(17)9-15(13)19-16/h3-4,9,11,14,18H,2,5-8,10H2,1H3
InChIKeyBWUFCPGLCYJOKC-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of 4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 114715684) is 4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for 4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for 4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is CCC1CCC2(CC1)CC(O)c1ccc(F)cc1O2.
What is the InChIKey of 4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is BWUFCPGLCYJOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c1-2-11-5-7-16(8-6-11)10-14(18)13-4-3-12(17)9-15(13)19-16/h3-4,9,11,14,18H,2,5-8,10H2,1H3.
What are the key properties of 4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 264.34 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 114715684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).