2-(2-benzyl-4-methylphenoxy)propane-1,3-diol

C17H20O3 — CID 175325804

IUPAC2-(2-benzyl-4-methylphenoxy)propane-1,3-diol
SMILESCc1ccc(OC(CO)CO)c(Cc2ccccc2)c1
InChIInChI=1S/C17H20O3/c1-13-7-8-17(20-16(11-18)12-19)15(9-13)10-14-5-3-2-4-6-14/h2-9,16,18-19H,10-12H2,1H3
InChIKeyUKZJAFULHICATM-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.32
Rot. Bonds6

About 2-(2-benzyl-4-methylphenoxy)propane-1,3-diol

2-(2-benzyl-4-methylphenoxy)propane-1,3-diol (PubChem CID 175325804) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(2-benzyl-4-methylphenoxy)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-benzyl-4-methylphenoxy)propane-1,3-diol
PubChem CID175325804
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name2-(2-benzyl-4-methylphenoxy)propane-1,3-diol
SMILESCc1ccc(OC(CO)CO)c(Cc2ccccc2)c1
InChIInChI=1S/C17H20O3/c1-13-7-8-17(20-16(11-18)12-19)15(9-13)10-14-5-3-2-4-6-14/h2-9,16,18-19H,10-12H2,1H3
InChIKeyUKZJAFULHICATM-UHFFFAOYSA-N
XLogP2.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzyl-4-methylphenoxy)ethanol
CID 156845812
(2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol
CID 7374885
1-benzyl-4-methyl-2-propan-2-ylbenzene
CID 59400391
3-(2-benzyl-4-methylphenoxy)propyl-[(2S)-2-hydroxypropyl]azanium
CID 7375818
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide
CID 63325502
3-[(2-methoxy-5-methylphenyl)methyl]benzoic acid
CID 116927115
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
4-(2-benzyl-4-chlorophenoxy)pentan-2-one
CID 64697546
1,3-dibenzyl-2-chloro-5-methylbenzene
CID 159286619
1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride
CID 2993981
2-(2-benzyl-4-chlorophenoxy)pentan-3-one
CID 64866316
3-(2-benzyl-4-methylphenyl)propan-1-amine
CID 141412375

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-methylphenoxy)propane-1,3-diol?
The IUPAC name of 2-(2-benzyl-4-methylphenoxy)propane-1,3-diol (CID 175325804) is 2-(2-benzyl-4-methylphenoxy)propane-1,3-diol.
What is the SMILES notation for 2-(2-benzyl-4-methylphenoxy)propane-1,3-diol?
The canonical SMILES for 2-(2-benzyl-4-methylphenoxy)propane-1,3-diol is Cc1ccc(OC(CO)CO)c(Cc2ccccc2)c1.
What is the InChIKey of 2-(2-benzyl-4-methylphenoxy)propane-1,3-diol?
The InChIKey is UKZJAFULHICATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-13-7-8-17(20-16(11-18)12-19)15(9-13)10-14-5-3-2-4-6-14/h2-9,16,18-19H,10-12H2,1H3.
What are the key properties of 2-(2-benzyl-4-methylphenoxy)propane-1,3-diol?
2-(2-benzyl-4-methylphenoxy)propane-1,3-diol has a molecular weight of 272.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-methylphenoxy)propane-1,3-diol is sourced from PubChem (CID 175325804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).