(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol

C13H18O2 — CID 104950045

IUPAC(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
SMILESCCC1(CC)C[C@@H](O)c2ccccc2O1
InChIInChI=1S/C13H18O2/c1-3-13(4-2)9-11(14)10-7-5-6-8-12(10)15-13/h5-8,11,14H,3-4,9H2,1-2H3/t11-/m1/s1
InChIKeyJYFPPXNHKJDIKX-LLVKDONJSA-N
MW206.28 g/mol
LogP3.06
Rot. Bonds2

About (4R)-2,2-diethyl-3,4-dihydrochromen-4-ol

(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol (PubChem CID 104950045) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (4R)-2,2-diethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
PubChem CID104950045
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
SMILESCCC1(CC)C[C@@H](O)c2ccccc2O1
InChIInChI=1S/C13H18O2/c1-3-13(4-2)9-11(14)10-7-5-6-8-12(10)15-13/h5-8,11,14H,3-4,9H2,1-2H3/t11-/m1/s1
InChIKeyJYFPPXNHKJDIKX-LLVKDONJSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 104980282
(4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol
CID 104950033
(4S)-7-bromo-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104949560
2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol
CID 114714855
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
CID 114714156
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
2,2-diphenyl-3,4-dihydrochromen-4-ol
CID 56694912
(4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949988
2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462447
(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949996
2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114714861

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-diethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4R)-2,2-diethyl-3,4-dihydrochromen-4-ol (CID 104950045) is (4R)-2,2-diethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4R)-2,2-diethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4R)-2,2-diethyl-3,4-dihydrochromen-4-ol is CCC1(CC)C[C@@H](O)c2ccccc2O1.
What is the InChIKey of (4R)-2,2-diethyl-3,4-dihydrochromen-4-ol?
The InChIKey is JYFPPXNHKJDIKX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-13(4-2)9-11(14)10-7-5-6-8-12(10)15-13/h5-8,11,14H,3-4,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (4R)-2,2-diethyl-3,4-dihydrochromen-4-ol?
(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol has a molecular weight of 206.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-diethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104950045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).