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

C24H36O6 — CID 139198404

IUPAC(2R)-3-(2-propylphenoxy)propane-1,2-diol
SMILESCCCc1ccccc1OC[C@H](O)CO.CCCc1ccccc1OC[C@H](O)CO
InChIInChI=1S/2C12H18O3/c2*1-2-5-10-6-3-4-7-12(10)15-9-11(14)8-13/h2*3-4,6-7,11,13-14H,2,5,8-9H2,1H3/t2*11-/m11/s1
InChIKeyRRPKJJHYNFMKBA-BSGLVDAKSA-N
MW420.55 g/mol
LogP2.74
Rot. Bonds12

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

(2R)-3-(2-propylphenoxy)propane-1,2-diol (PubChem CID 139198404) has the molecular formula C24H36O6 and a molecular weight of 420.55 g/mol. Its IUPAC name is (2R)-3-(2-propylphenoxy)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(2-propylphenoxy)propane-1,2-diol
PubChem CID139198404
Molecular FormulaC24H36O6
Molecular Weight420.55 g/mol
Exact Mass420.25
IUPAC Name(2R)-3-(2-propylphenoxy)propane-1,2-diol
SMILESCCCc1ccccc1OC[C@H](O)CO.CCCc1ccccc1OC[C@H](O)CO
InChIInChI=1S/2C12H18O3/c2*1-2-5-10-6-3-4-7-12(10)15-9-11(14)8-13/h2*3-4,6-7,11,13-14H,2,5,8-9H2,1H3/t2*11-/m11/s1
InChIKeyRRPKJJHYNFMKBA-BSGLVDAKSA-N
XLogP2.74
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
(2S)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propane-1,2-diol
CID 134296045
3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol
CID 24843324
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 21124908
3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
CID 82850622
1-(2-octylphenoxy)propan-2-ol
CID 142740915
1-(2-hexyldecoxy)-2-propylbenzene
CID 70821516
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 21124907
4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol
CID 21312383
3-(4-methyl-3-propylphenoxy)propane-1,2-diol
CID 53439734
1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol
CID 11336770
3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
CID 66896080

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-propylphenoxy)propane-1,2-diol?
The IUPAC name of (2R)-3-(2-propylphenoxy)propane-1,2-diol (CID 139198404) is (2R)-3-(2-propylphenoxy)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(2-propylphenoxy)propane-1,2-diol?
The canonical SMILES for (2R)-3-(2-propylphenoxy)propane-1,2-diol is CCCc1ccccc1OC[C@H](O)CO.CCCc1ccccc1OC[C@H](O)CO.
What is the InChIKey of (2R)-3-(2-propylphenoxy)propane-1,2-diol?
The InChIKey is RRPKJJHYNFMKBA-BSGLVDAKSA-N. The full InChI is InChI=1S/2C12H18O3/c2*1-2-5-10-6-3-4-7-12(10)15-9-11(14)8-13/h2*3-4,6-7,11,13-14H,2,5,8-9H2,1H3/t2*11-/m11/s1.
What are the key properties of (2R)-3-(2-propylphenoxy)propane-1,2-diol?
(2R)-3-(2-propylphenoxy)propane-1,2-diol has a molecular weight of 420.55 g/mol, XLogP of 2.74, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-propylphenoxy)propane-1,2-diol is sourced from PubChem (CID 139198404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).