1,3-benzodioxol-5-yl(cycloheptyl)methanol

C15H20O3 — CID 82929316

IUPAC1,3-benzodioxol-5-yl(cycloheptyl)methanol
SMILESOC(c1ccc2c(c1)OCO2)C1CCCCCC1
InChIInChI=1S/C15H20O3/c16-15(11-5-3-1-2-4-6-11)12-7-8-13-14(9-12)18-10-17-13/h7-9,11,15-16H,1-6,10H2
InChIKeyJQXUFBQHCJQZTG-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.42
Rot. Bonds2

About 1,3-benzodioxol-5-yl(cycloheptyl)methanol

1,3-benzodioxol-5-yl(cycloheptyl)methanol (PubChem CID 82929316) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl(cycloheptyl)methanol.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl(cycloheptyl)methanol
PubChem CID82929316
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1,3-benzodioxol-5-yl(cycloheptyl)methanol
SMILESOC(c1ccc2c(c1)OCO2)C1CCCCCC1
InChIInChI=1S/C15H20O3/c16-15(11-5-3-1-2-4-6-11)12-7-8-13-14(9-12)18-10-17-13/h7-9,11,15-16H,1-6,10H2
InChIKeyJQXUFBQHCJQZTG-UHFFFAOYSA-N
XLogP3.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086943
1,3-benzodioxol-5-yl(oxan-4-yl)methanol
CID 63935647
1,3-benzodioxol-5-yl(cycloheptyl)methanamine
CID 82931380
(S)-1,3-benzodioxol-5-yl(cyclohexyl)methanamine;hydrochloride
CID 171236430
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086940
1-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)ethanol
CID 60896946
1,3-benzodioxol-5-yl-(3,4-dimethylcyclohexyl)methanol
CID 64738404
(7-bromo-1,3-benzodioxol-5-yl)-cyclohexylmethanol
CID 63896143
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 65018205
cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 65023088
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl(cycloheptyl)methanol?
The IUPAC name of 1,3-benzodioxol-5-yl(cycloheptyl)methanol (CID 82929316) is 1,3-benzodioxol-5-yl(cycloheptyl)methanol.
What is the SMILES notation for 1,3-benzodioxol-5-yl(cycloheptyl)methanol?
The canonical SMILES for 1,3-benzodioxol-5-yl(cycloheptyl)methanol is OC(c1ccc2c(c1)OCO2)C1CCCCCC1.
What is the InChIKey of 1,3-benzodioxol-5-yl(cycloheptyl)methanol?
The InChIKey is JQXUFBQHCJQZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-15(11-5-3-1-2-4-6-11)12-7-8-13-14(9-12)18-10-17-13/h7-9,11,15-16H,1-6,10H2.
What are the key properties of 1,3-benzodioxol-5-yl(cycloheptyl)methanol?
1,3-benzodioxol-5-yl(cycloheptyl)methanol has a molecular weight of 248.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl(cycloheptyl)methanol is sourced from PubChem (CID 82929316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).