2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol

C14H20O4 — CID 103547609

IUPAC2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
SMILESCOc1cc(C)c(C(O)CC2OCCO2)cc1C
InChIInChI=1S/C14H20O4/c1-9-7-13(16-3)10(2)6-11(9)12(15)8-14-17-4-5-18-14/h6-7,12,14-15H,4-5,8H2,1-3H3
InChIKeyQXVNWYMSOJPZDA-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.11
Rot. Bonds4

About 2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol

2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol (PubChem CID 103547609) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
PubChem CID103547609
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
SMILESCOc1cc(C)c(C(O)CC2OCCO2)cc1C
InChIInChI=1S/C14H20O4/c1-9-7-13(16-3)10(2)6-11(9)12(15)8-14-17-4-5-18-14/h6-7,12,14-15H,4-5,8H2,1-3H3
InChIKeyQXVNWYMSOJPZDA-UHFFFAOYSA-N
XLogP2.11
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol
CID 103547438
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol
CID 103165429
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 115831293
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
[1-(4-methoxy-2,5-dimethylphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267567
N-[1,4-dioxan-2-yl-(4-methoxy-2,5-dimethylphenyl)methyl]propan-1-amine
CID 105032985
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
CID 20549048
3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 112510132
2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 112510505
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol (CID 103547609) is 2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol is COc1cc(C)c(C(O)CC2OCCO2)cc1C.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
The InChIKey is QXVNWYMSOJPZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9-7-13(16-3)10(2)6-11(9)12(15)8-14-17-4-5-18-14/h6-7,12,14-15H,4-5,8H2,1-3H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol has a molecular weight of 252.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 103547609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).