(4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol

C10H12O2 — CID 15420539

IUPAC(4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cccc2c1OCC[C@@H]2O
InChIInChI=1S/C10H12O2/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-4,9,11H,5-6H2,1H3/t9-/m0/s1
InChIKeyQHICYGQJHBFCPI-VIFPVBQESA-N
MW164.20 g/mol
LogP1.81
Rot. Bonds

About (4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol

(4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 15420539) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID15420539
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cccc2c1OCC[C@@H]2O
InChIInChI=1S/C10H12O2/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-4,9,11H,5-6H2,1H3/t9-/m0/s1
InChIKeyQHICYGQJHBFCPI-VIFPVBQESA-N
XLogP1.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol (CID 15420539) is (4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol is Cc1cccc2c1OCC[C@@H]2O.
What is the InChIKey of (4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is QHICYGQJHBFCPI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12O2/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-4,9,11H,5-6H2,1H3/t9-/m0/s1.
What are the key properties of (4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol?
(4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 164.20 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 15420539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).