1-(2-propan-2-yloxyphenyl)propane-1,2-diol

C12H18O3 — CID 103452569

IUPAC1-(2-propan-2-yloxyphenyl)propane-1,2-diol
SMILESCC(C)Oc1ccccc1C(O)C(C)O
InChIInChI=1S/C12H18O3/c1-8(2)15-11-7-5-4-6-10(11)12(14)9(3)13/h4-9,12-14H,1-3H3
InChIKeyRUNRMTFRMPJBQT-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.89
Rot. Bonds4

About 1-(2-propan-2-yloxyphenyl)propane-1,2-diol

1-(2-propan-2-yloxyphenyl)propane-1,2-diol (PubChem CID 103452569) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)propane-1,2-diol
PubChem CID103452569
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(2-propan-2-yloxyphenyl)propane-1,2-diol
SMILESCC(C)Oc1ccccc1C(O)C(C)O
InChIInChI=1S/C12H18O3/c1-8(2)15-11-7-5-4-6-10(11)12(14)9(3)13/h4-9,12-14H,1-3H3
InChIKeyRUNRMTFRMPJBQT-UHFFFAOYSA-N
XLogP1.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-yloxyphenyl)pentane-1,2-diol
CID 103454765
methyl 3,4-dihydroxy-4-(2-propan-2-yloxyphenyl)butanoate
CID 171895922
1-[2-(difluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 63894804
(2-propan-2-yloxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115823724
cyclooctyl-(2-propan-2-yloxyphenyl)methanol
CID 80603247
2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol
CID 79023945
(3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 107978570
4-methoxy-1-(2-propan-2-yloxyphenyl)pentan-1-ol
CID 105116940
2-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propanamide
CID 47308123
[3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol
CID 115527689
4-[hydroxy-(2-propan-2-yloxyphenyl)methyl]benzonitrile
CID 115480983
(3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 115823656

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)propane-1,2-diol?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)propane-1,2-diol (CID 103452569) is 1-(2-propan-2-yloxyphenyl)propane-1,2-diol.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)propane-1,2-diol?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)propane-1,2-diol is CC(C)Oc1ccccc1C(O)C(C)O.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)propane-1,2-diol?
The InChIKey is RUNRMTFRMPJBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8(2)15-11-7-5-4-6-10(11)12(14)9(3)13/h4-9,12-14H,1-3H3.
What are the key properties of 1-(2-propan-2-yloxyphenyl)propane-1,2-diol?
1-(2-propan-2-yloxyphenyl)propane-1,2-diol has a molecular weight of 210.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)propane-1,2-diol is sourced from PubChem (CID 103452569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).