ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol

C16H28O4 — CID 156647383

IUPACethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol
SMILESCC.COCC(C)(O)c1ccc(C(C)(O)COC)cc1
InChIInChI=1S/C14H22O4.C2H6/c1-13(15,9-17-3)11-5-7-12(8-6-11)14(2,16)10-18-4;1-2/h5-8,15-16H,9-10H2,1-4H3;1-2H3
InChIKeyLWHZKKFPSUERPG-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.42
Rot. Bonds6

About ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol

ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol (PubChem CID 156647383) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol.

Molecular Properties

Compound Nameethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol
PubChem CID156647383
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Nameethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol
SMILESCC.COCC(C)(O)c1ccc(C(C)(O)COC)cc1
InChIInChI=1S/C14H22O4.C2H6/c1-13(15,9-17-3)11-5-7-12(8-6-11)14(2,16)10-18-4;1-2/h5-8,15-16H,9-10H2,1-4H3;1-2H3
InChIKeyLWHZKKFPSUERPG-UHFFFAOYSA-N
XLogP2.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-Phenylbutan-2-ol
CID 15283
1,2-Propanediol, 1,1-diphenyl-
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4-Ethylbenzyl alcohol
CID 13034

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol?
The IUPAC name of ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol (CID 156647383) is ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol.
What is the SMILES notation for ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol?
The canonical SMILES for ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol is CC.COCC(C)(O)c1ccc(C(C)(O)COC)cc1.
What is the InChIKey of ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol?
The InChIKey is LWHZKKFPSUERPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4.C2H6/c1-13(15,9-17-3)11-5-7-12(8-6-11)14(2,16)10-18-4;1-2/h5-8,15-16H,9-10H2,1-4H3;1-2H3.
What are the key properties of ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol?
ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol is sourced from PubChem (CID 156647383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).