(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol

C15H18O3 — CID 20840673

IUPAC(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)/C(=C\c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C15H18O3/c1-10-2-4-13(16)12(6-10)7-11-3-5-14-15(8-11)18-9-17-14/h3,5,7-8,10,13,16H,2,4,6,9H2,1H3/b12-7-
InChIKeyZADPHPVAHZNMMR-GHXNOFRVSA-N
MW246.31 g/mol
LogP2.98
Rot. Bonds1

About (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol (PubChem CID 20840673) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol
PubChem CID20840673
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)/C(=C\c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C15H18O3/c1-10-2-4-13(16)12(6-10)7-11-3-5-14-15(8-11)18-9-17-14/h3,5,7-8,10,13,16H,2,4,6,9H2,1H3/b12-7-
InChIKeyZADPHPVAHZNMMR-GHXNOFRVSA-N
XLogP2.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol
CID 6447014
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol
CID 20840675
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol
CID 6447016
(E)-3-(1,3-benzodioxol-5-yl)-N-methyl-N-(4-methylcyclohexyl)prop-2-enamide
CID 32915720
(2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)-3-methylcyclohexan-1-one
CID 6523576
(2Z,3R,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)-3-methylcyclohexan-1-one
CID 6552301
4-(1,3-benzodioxol-5-ylmethylidene)-1-phenylpyrazolidine-3,5-diol
CID 2755549
(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
(2E,7S)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-6,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 27235171
4-(1,3-benzodioxol-5-ylmethylidene)piperidine-1-carboxylic acid
CID 151428505
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-5-methylthiophen-2-one
CID 6300693
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)prop-2-en-1-one
CID 114679815

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol?
The IUPAC name of (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol (CID 20840673) is (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol.
What is the SMILES notation for (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol?
The canonical SMILES for (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol is CC1CCC(O)/C(=C\c2ccc3c(c2)OCO3)C1.
What is the InChIKey of (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol?
The InChIKey is ZADPHPVAHZNMMR-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H18O3/c1-10-2-4-13(16)12(6-10)7-11-3-5-14-15(8-11)18-9-17-14/h3,5,7-8,10,13,16H,2,4,6,9H2,1H3/b12-7-.
What are the key properties of (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol?
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 20840673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).