2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol

C18H19FO2 — CID 114714156

IUPAC2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
SMILESCCC1(Cc2ccccc2)CC(O)c2cc(F)ccc2O1
InChIInChI=1S/C18H19FO2/c1-2-18(11-13-6-4-3-5-7-13)12-16(20)15-10-14(19)8-9-17(15)21-18/h3-10,16,20H,2,11-12H2,1H3
InChIKeyUMSIBJYGHQKUBT-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.03
Rot. Bonds3

About 2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol

2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol (PubChem CID 114714156) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
PubChem CID114714156
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
SMILESCCC1(Cc2ccccc2)CC(O)c2cc(F)ccc2O1
InChIInChI=1S/C18H19FO2/c1-2-18(11-13-6-4-3-5-7-13)12-16(20)15-10-14(19)8-9-17(15)21-18/h3-10,16,20H,2,11-12H2,1H3
InChIKeyUMSIBJYGHQKUBT-UHFFFAOYSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151
(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104950045
(4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
CID 104948041
(4S)-2-ethyl-7-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951969
(4R)-2-ethyl-7-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951740
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine
CID 68597302
2-benzyl-6-bromo-2-ethyl-3,4-dihydrochromen-4-amine
CID 114710150
(4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine
CID 104945315
(4S)-2-cyclopropyl-6-fluoro-2-propyl-3,4-dihydrochromen-4-ol
CID 114276167
(4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 104948348
(4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944178

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol?
The IUPAC name of 2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol (CID 114714156) is 2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol?
The canonical SMILES for 2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol is CCC1(Cc2ccccc2)CC(O)c2cc(F)ccc2O1.
What is the InChIKey of 2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol?
The InChIKey is UMSIBJYGHQKUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-2-18(11-13-6-4-3-5-7-13)12-16(20)15-10-14(19)8-9-17(15)21-18/h3-10,16,20H,2,11-12H2,1H3.
What are the key properties of 2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol?
2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol has a molecular weight of 286.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 114714156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).