(3S)-3-methyl-2,4-dihydrochromen-3-ol

C10H12O2 — CID 163222084

IUPAC(3S)-3-methyl-2,4-dihydrochromen-3-ol
SMILESC[C@@]1(O)COc2ccccc2C1
InChIInChI=1S/C10H12O2/c1-10(11)6-8-4-2-3-5-9(8)12-7-10/h2-5,11H,6-7H2,1H3/t10-/m0/s1
InChIKeyQPBJXWYXPAYROT-JTQLQIEISA-N
MW164.20 g/mol
LogP1.37
Rot. Bonds

About (3S)-3-methyl-2,4-dihydrochromen-3-ol

(3S)-3-methyl-2,4-dihydrochromen-3-ol (PubChem CID 163222084) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (3S)-3-methyl-2,4-dihydrochromen-3-ol.

Molecular Properties

Compound Name(3S)-3-methyl-2,4-dihydrochromen-3-ol
PubChem CID163222084
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(3S)-3-methyl-2,4-dihydrochromen-3-ol
SMILESC[C@@]1(O)COc2ccccc2C1
InChIInChI=1S/C10H12O2/c1-10(11)6-8-4-2-3-5-9(8)12-7-10/h2-5,11H,6-7H2,1H3/t10-/m0/s1
InChIKeyQPBJXWYXPAYROT-JTQLQIEISA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2,4-dihydrochromen-3-ol
CID 71345229
[(3R)-3-methyl-2,4-dihydrochromen-3-yl]methanol
CID 132962049
3-prop-1-ynyl-2,4-dihydrochromen-3-ol
CID 130605047
3-(methylamino)-2,4-dihydrochromene-3-carboxamide
CID 130605065
3-ethyl-2,4-dihydrochromene-3-carbonitrile
CID 65409375
3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde
CID 130632278
3-methoxy-2,4-dihydrochromene-3-carbaldehyde
CID 130631253
3-bromo-2,4-dihydrochromene-3-carbonitrile
CID 131107497
7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol
CID 85416076
(3S,5S)-7-oxatricyclo[6.4.0.03,5]dodeca-1(12),8,10-trien-5-ol
CID 11148036
spiro[2,4-dihydrochromene-3,4'-piperidine]
CID 15187048
3-(2-hydroxypropyl)-2,4-dihydrochromene-3-carboxylic acid
CID 79429351

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-2,4-dihydrochromen-3-ol?
The IUPAC name of (3S)-3-methyl-2,4-dihydrochromen-3-ol (CID 163222084) is (3S)-3-methyl-2,4-dihydrochromen-3-ol.
What is the SMILES notation for (3S)-3-methyl-2,4-dihydrochromen-3-ol?
The canonical SMILES for (3S)-3-methyl-2,4-dihydrochromen-3-ol is C[C@@]1(O)COc2ccccc2C1.
What is the InChIKey of (3S)-3-methyl-2,4-dihydrochromen-3-ol?
The InChIKey is QPBJXWYXPAYROT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12O2/c1-10(11)6-8-4-2-3-5-9(8)12-7-10/h2-5,11H,6-7H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-2,4-dihydrochromen-3-ol?
(3S)-3-methyl-2,4-dihydrochromen-3-ol has a molecular weight of 164.20 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-2,4-dihydrochromen-3-ol is sourced from PubChem (CID 163222084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).