(Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol

C11H12O3 — CID 143128827

IUPAC(Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol
SMILESC/C(=C/c1ccc2c(c1)OCO2)CO
InChIInChI=1S/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-5,12H,6-7H2,1H3/b8-4-
InChIKeyXGABMOOENRNOTG-YWEYNIOJSA-N
MW192.21 g/mol
LogP1.81
Rot. Bonds2

About (Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol

(Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol (PubChem CID 143128827) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol
PubChem CID143128827
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol
SMILESC/C(=C/c1ccc2c(c1)OCO2)CO
InChIInChI=1S/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-5,12H,6-7H2,1H3/b8-4-
InChIKeyXGABMOOENRNOTG-YWEYNIOJSA-N
XLogP1.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enal;ethane
CID 143300593
(2E)-5-(1,3-benzodioxol-5-yl)-4-methylpenta-2,4-dienoic acid
CID 173186075
(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
(2E,3E)-2,3-bis(1,3-benzodioxol-5-ylmethylidene)butanedioic acid
CID 11090237
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)octan-2-one
CID 25062893
(Z)-1-(1,3-benzodioxol-5-yl)-2-hydroxy-4-methylpent-1-en-3-one
CID 130434088
(E)-4-(1,3-benzodioxol-5-yl)-1-(dimethylamino)but-3-en-2-ol
CID 145453443
(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
CID 5397527
2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
CID 723289
5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
CID 11310703
(E,4Z)-4-(1,3-benzodioxol-5-ylmethylidene)hex-2-enoic acid
CID 87842957
(Z,4E)-4-(1,3-benzodioxol-5-ylmethylidene)hex-2-enoic acid
CID 87843026

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol?
The IUPAC name of (Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol (CID 143128827) is (Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol is C/C(=C/c1ccc2c(c1)OCO2)CO.
What is the InChIKey of (Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol?
The InChIKey is XGABMOOENRNOTG-YWEYNIOJSA-N. The full InChI is InChI=1S/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-5,12H,6-7H2,1H3/b8-4-.
What are the key properties of (Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol?
(Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol has a molecular weight of 192.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 143128827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).