(4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol

C14H20O2 — CID 104949803

IUPAC(4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCCC(CC)C1C[C@H](O)c2ccccc2O1
InChIInChI=1S/C14H20O2/c1-3-10(4-2)14-9-12(15)11-7-5-6-8-13(11)16-14/h5-8,10,12,14-15H,3-4,9H2,1-2H3/t12-,14?/m0/s1
InChIKeyBOOMPQSILCNGCE-NBFOIZRFSA-N
MW220.31 g/mol
LogP3.31
Rot. Bonds3

About (4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol

(4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949803) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949803
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCCC(CC)C1C[C@H](O)c2ccccc2O1
InChIInChI=1S/C14H20O2/c1-3-10(4-2)14-9-12(15)11-7-5-6-8-13(11)16-14/h5-8,10,12,14-15H,3-4,9H2,1-2H3/t12-,14?/m0/s1
InChIKeyBOOMPQSILCNGCE-NBFOIZRFSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol (CID 104949803) is (4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol is CCC(CC)C1C[C@H](O)c2ccccc2O1.
What is the InChIKey of (4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is BOOMPQSILCNGCE-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-10(4-2)14-9-12(15)11-7-5-6-8-13(11)16-14/h5-8,10,12,14-15H,3-4,9H2,1-2H3/t12-,14?/m0/s1.
What are the key properties of (4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 220.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).