8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol

C16H23FO2 — CID 73051099

IUPAC8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol
SMILESCC(C)CCCC1(C)CCc2cc(O)cc(F)c2O1
InChIInChI=1S/C16H23FO2/c1-11(2)5-4-7-16(3)8-6-12-9-13(18)10-14(17)15(12)19-16/h9-11,18H,4-8H2,1-3H3
InChIKeyXAGHGZJEVNYCNM-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.44
Rot. Bonds4

About 8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol

8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol (PubChem CID 73051099) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol
PubChem CID73051099
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol
SMILESCC(C)CCCC1(C)CCc2cc(O)cc(F)c2O1
InChIInChI=1S/C16H23FO2/c1-11(2)5-4-7-16(3)8-6-12-9-13(18)10-14(17)15(12)19-16/h9-11,18H,4-8H2,1-3H3
InChIKeyXAGHGZJEVNYCNM-UHFFFAOYSA-N
XLogP4.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol?
The IUPAC name of 8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol (CID 73051099) is 8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol?
The canonical SMILES for 8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol is CC(C)CCCC1(C)CCc2cc(O)cc(F)c2O1.
What is the InChIKey of 8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol?
The InChIKey is XAGHGZJEVNYCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-11(2)5-4-7-16(3)8-6-12-9-13(18)10-14(17)15(12)19-16/h9-11,18H,4-8H2,1-3H3.
What are the key properties of 8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol?
8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol has a molecular weight of 266.36 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 73051099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).