[1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol

C13H16O3 — CID 116842630

IUPAC[1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol
SMILESCC1(C)CC1(CO)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H16O3/c1-12(2)6-13(12,7-14)9-3-4-10-11(5-9)16-8-15-10/h3-5,14H,6-8H2,1-2H3
InChIKeyLRAWNEFQBOGKSG-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.08
Rot. Bonds2

About [1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol

[1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol (PubChem CID 116842630) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is [1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol
PubChem CID116842630
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name[1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol
SMILESCC1(C)CC1(CO)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H16O3/c1-12(2)6-13(12,7-14)9-3-4-10-11(5-9)16-8-15-10/h3-5,14H,6-8H2,1-2H3
InChIKeyLRAWNEFQBOGKSG-UHFFFAOYSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000121
5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
3-(1,3-benzodioxol-5-yl)oxetan-3-ol
CID 75406892
5-[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]-3H-1,3-benzoxazol-2-one
CID 116842709
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol
CID 116842464
[1-(1,3-benzodioxol-5-yl)-3,3-diethylcyclobutyl]methanamine
CID 65003511
4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione
CID 63156117
(3R,5R)-5-(1,3-benzodioxol-5-yl)-3,5-dimethyloxolan-2-one
CID 101087163
2-[[2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methylsulfanyl]acetic acid
CID 59197899
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
[1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol
CID 117019827
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopropyl]methanol
CID 116963432

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol?
The IUPAC name of [1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol (CID 116842630) is [1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol.
What is the SMILES notation for [1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol?
The canonical SMILES for [1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol is CC1(C)CC1(CO)c1ccc2c(c1)OCO2.
What is the InChIKey of [1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol?
The InChIKey is LRAWNEFQBOGKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-12(2)6-13(12,7-14)9-3-4-10-11(5-9)16-8-15-10/h3-5,14H,6-8H2,1-2H3.
What are the key properties of [1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol?
[1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol has a molecular weight of 220.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol is sourced from PubChem (CID 116842630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).