2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol

C17H24O4 — CID 116754488

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol
SMILESCOC1(C(O)c2ccc3c(c2)OCCO3)CCC(C)CC1
InChIInChI=1S/C17H24O4/c1-12-5-7-17(19-2,8-6-12)16(18)13-3-4-14-15(11-13)21-10-9-20-14/h3-4,11-12,16,18H,5-10H2,1-2H3
InChIKeyFNKOMNKZWSWOQN-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.09
Rot. Bonds3

About 2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol

2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol (PubChem CID 116754488) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol
PubChem CID116754488
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol
SMILESCOC1(C(O)c2ccc3c(c2)OCCO3)CCC(C)CC1
InChIInChI=1S/C17H24O4/c1-12-5-7-17(19-2,8-6-12)16(18)13-3-4-14-15(11-13)21-10-9-20-14/h3-4,11-12,16,18H,5-10H2,1-2H3
InChIKeyFNKOMNKZWSWOQN-UHFFFAOYSA-N
XLogP3.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754621
(1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol
CID 116754442
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086940
(4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 79972232
cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086943
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol
CID 107288648
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
(3-cyclobutylphenyl)-(1-methoxycyclohexyl)methanol
CID 114602493
1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine
CID 116914101

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol (CID 116754488) is 2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol is COC1(C(O)c2ccc3c(c2)OCCO3)CCC(C)CC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol?
The InChIKey is FNKOMNKZWSWOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-12-5-7-17(19-2,8-6-12)16(18)13-3-4-14-15(11-13)21-10-9-20-14/h3-4,11-12,16,18H,5-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol?
2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol has a molecular weight of 292.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol is sourced from PubChem (CID 116754488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).