1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol

C17H24O4 — CID 114341931

IUPAC1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol
SMILESCC1(C)CCC(OCC(O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C17H24O4/c1-17(2)7-5-13(6-8-17)19-10-14(18)12-3-4-15-16(9-12)21-11-20-15/h3-4,9,13-14,18H,5-8,10-11H2,1-2H3
InChIKeyRYLAXWALELSYCK-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.43
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol

1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol (PubChem CID 114341931) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol
PubChem CID114341931
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol
SMILESCC1(C)CCC(OCC(O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C17H24O4/c1-17(2)7-5-13(6-8-17)19-10-14(18)12-3-4-15-16(9-12)21-11-20-15/h3-4,9,13-14,18H,5-8,10-11H2,1-2H3
InChIKeyRYLAXWALELSYCK-UHFFFAOYSA-N
XLogP3.43
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminooxy-1-(1,3-benzodioxol-5-yl)ethanol
CID 82112199
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(oxolan-3-yloxy)ethanol
CID 63558085
1-(1,3-benzodioxol-5-yl)-2-[cyclopropyl(methyl)amino]ethanol
CID 54948756
1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine
CID 16796104
1-(1,3-benzodioxol-5-yl)-2-(2-methylpropoxyamino)ethanol
CID 82722356
1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol
CID 54948959
1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 60979825
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
(1R)-1-(1,3-benzodioxol-5-yl)-2-chloroethanol
CID 93182688
1-(1,3-benzodioxol-5-yl)-2-(cyclobutylmethylamino)ethanol
CID 60901212
1-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)ethanol
CID 60896946
1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
CID 54944825

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol (CID 114341931) is 1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol is CC1(C)CCC(OCC(O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol?
The InChIKey is RYLAXWALELSYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-17(2)7-5-13(6-8-17)19-10-14(18)12-3-4-15-16(9-12)21-11-20-15/h3-4,9,13-14,18H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol?
1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol has a molecular weight of 292.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol is sourced from PubChem (CID 114341931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).