(7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol

C15H19BrO3 — CID 64749374

IUPAC(7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol
SMILESCC1CCC(C(O)c2cc(Br)c3c(c2)OCO3)CC1
InChIInChI=1S/C15H19BrO3/c1-9-2-4-10(5-3-9)14(17)11-6-12(16)15-13(7-11)18-8-19-15/h6-7,9-10,14,17H,2-5,8H2,1H3
InChIKeyLCDJVXQFJFBSJC-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.04
Rot. Bonds2

About (7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol

(7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol (PubChem CID 64749374) has the molecular formula C15H19BrO3 and a molecular weight of 327.22 g/mol. Its IUPAC name is (7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol
PubChem CID64749374
Molecular FormulaC15H19BrO3
Molecular Weight327.22 g/mol
Exact Mass326.05
IUPAC Name(7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol
SMILESCC1CCC(C(O)c2cc(Br)c3c(c2)OCO3)CC1
InChIInChI=1S/C15H19BrO3/c1-9-2-4-10(5-3-9)14(17)11-6-12(16)15-13(7-11)18-8-19-15/h6-7,9-10,14,17H,2-5,8H2,1H3
InChIKeyLCDJVXQFJFBSJC-UHFFFAOYSA-N
XLogP4.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-bromo-1,3-benzodioxol-5-yl)-cyclohexylmethanol
CID 63896143
1-(7-bromo-1,3-benzodioxol-5-yl)-3-methylhexan-1-ol
CID 65150718
(7-bromo-1,3-benzodioxol-5-yl)-(3,5-difluorophenyl)methanol
CID 63894043
1-(7-bromo-1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
CID 114544588
2-amino-1-(7-bromo-1,3-benzodioxol-5-yl)butan-1-ol
CID 43566109
1-(7-bromo-1,3-benzodioxol-5-yl)hex-4-yn-1-ol
CID 104809376
1-(7-bromo-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)ethanol
CID 63893287
(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749368
2-[acetyl(cyclopropyl)amino]-2-(7-bromo-1,3-benzodioxol-5-yl)acetic acid
CID 63701894
3-(7-bromo-1,3-benzodioxol-5-yl)-2-fluoro-3-hydroxypropanoic acid
CID 79366804
2-(7-bromo-1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 43143852
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol
CID 65149646

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol?
The IUPAC name of (7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol (CID 64749374) is (7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol.
What is the SMILES notation for (7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol?
The canonical SMILES for (7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol is CC1CCC(C(O)c2cc(Br)c3c(c2)OCO3)CC1.
What is the InChIKey of (7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol?
The InChIKey is LCDJVXQFJFBSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO3/c1-9-2-4-10(5-3-9)14(17)11-6-12(16)15-13(7-11)18-8-19-15/h6-7,9-10,14,17H,2-5,8H2,1H3.
What are the key properties of (7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol?
(7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol has a molecular weight of 327.22 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1,3-benzodioxol-5-yl)-(4-methylcyclohexyl)methanol is sourced from PubChem (CID 64749374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).