(2R)-2-(3-methylphenyl)propane-1,2-diol

C10H14O2 — CID 56926487

IUPAC(2R)-2-(3-methylphenyl)propane-1,2-diol
SMILESCc1cccc([C@@](C)(O)CO)c1
InChIInChI=1S/C10H14O2/c1-8-4-3-5-9(6-8)10(2,12)7-11/h3-6,11-12H,7H2,1-2H3/t10-/m0/s1
InChIKeyFNULQZCMIWNUHA-JTQLQIEISA-N
MW166.22 g/mol
LogP1.19
Rot. Bonds2

About (2R)-2-(3-methylphenyl)propane-1,2-diol

(2R)-2-(3-methylphenyl)propane-1,2-diol (PubChem CID 56926487) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2R)-2-(3-methylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-2-(3-methylphenyl)propane-1,2-diol
PubChem CID56926487
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2R)-2-(3-methylphenyl)propane-1,2-diol
SMILESCc1cccc([C@@](C)(O)CO)c1
InChIInChI=1S/C10H14O2/c1-8-4-3-5-9(6-8)10(2,12)7-11/h3-6,11-12H,7H2,1-2H3/t10-/m0/s1
InChIKeyFNULQZCMIWNUHA-JTQLQIEISA-N
XLogP1.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
1,2-bis(3-methylphenyl)propan-2-ol
CID 60798209
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol
CID 114930963
4-cyclopentyl-2-(3-methylphenyl)butan-2-ol
CID 114191689
2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 61308364
2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
CID 104735632
1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol
CID 18615291
[dihydroxy-(3-methylphenyl)methyl]sulfanyl-(3-methylphenyl)methanediol
CID 150288864
(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol
CID 130021958
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylphenyl)propane-1,2-diol?
The IUPAC name of (2R)-2-(3-methylphenyl)propane-1,2-diol (CID 56926487) is (2R)-2-(3-methylphenyl)propane-1,2-diol.
What is the SMILES notation for (2R)-2-(3-methylphenyl)propane-1,2-diol?
The canonical SMILES for (2R)-2-(3-methylphenyl)propane-1,2-diol is Cc1cccc([C@@](C)(O)CO)c1.
What is the InChIKey of (2R)-2-(3-methylphenyl)propane-1,2-diol?
The InChIKey is FNULQZCMIWNUHA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14O2/c1-8-4-3-5-9(6-8)10(2,12)7-11/h3-6,11-12H,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (2R)-2-(3-methylphenyl)propane-1,2-diol?
(2R)-2-(3-methylphenyl)propane-1,2-diol has a molecular weight of 166.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylphenyl)propane-1,2-diol is sourced from PubChem (CID 56926487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).