[6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol

C15H20O4 — CID 55012960

IUPAC[6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol
SMILESOCc1cc2c(cc1OCC1CCCCC1)OCO2
InChIInChI=1S/C15H20O4/c16-8-12-6-14-15(19-10-18-14)7-13(12)17-9-11-4-2-1-3-5-11/h6-7,11,16H,1-5,8-10H2
InChIKeyRLFNYCWXGZUUKD-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.87
Rot. Bonds4

About [6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol

[6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol (PubChem CID 55012960) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is [6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol.

Molecular Properties

Compound Name[6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol
PubChem CID55012960
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name[6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol
SMILESOCc1cc2c(cc1OCC1CCCCC1)OCO2
InChIInChI=1S/C15H20O4/c16-8-12-6-14-15(19-10-18-14)7-13(12)17-9-11-4-2-1-3-5-11/h6-7,11,16H,1-5,8-10H2
InChIKeyRLFNYCWXGZUUKD-UHFFFAOYSA-N
XLogP2.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylmethoxy)-5-fluorophenyl]methanol
CID 107698568
1-[6-(cyclopropylmethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine
CID 55011820
6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 66322144
[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672
[6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol
CID 79172447
[6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol
CID 107912808
[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methanol
CID 63558987
[6-(2-methylidenebutoxy)-1,3-benzodioxol-5-yl]methanol
CID 66045725
[2-(cyclobutylmethoxy)phenyl]methanol
CID 58083532
6-(oxan-4-ylmethoxy)-1,3-benzodioxole-5-carboxylic acid
CID 62386055
[3-(cyclopentylmethoxy)-4-pyridinyl]methanol
CID 105067194
[6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol
CID 55013005

Frequently Asked Questions

What is the IUPAC name of [6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol?
The IUPAC name of [6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol (CID 55012960) is [6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol.
What is the SMILES notation for [6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol?
The canonical SMILES for [6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol is OCc1cc2c(cc1OCC1CCCCC1)OCO2.
What is the InChIKey of [6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol?
The InChIKey is RLFNYCWXGZUUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c16-8-12-6-14-15(19-10-18-14)7-13(12)17-9-11-4-2-1-3-5-11/h6-7,11,16H,1-5,8-10H2.
What are the key properties of [6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol?
[6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol has a molecular weight of 264.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol is sourced from PubChem (CID 55012960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).