(6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol

C10H11ClO3 — CID 170357968

IUPAC(6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
SMILESCC1COc2cc(CO)c(Cl)cc2O1
InChIInChI=1S/C10H11ClO3/c1-6-5-13-9-2-7(4-12)8(11)3-10(9)14-6/h2-3,6,12H,4-5H2,1H3
InChIKeyINCSWLMCFVBVTP-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.99
Rot. Bonds1

About (6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol

(6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (PubChem CID 170357968) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is (6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol.

Molecular Properties

Compound Name(6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
PubChem CID170357968
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name(6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
SMILESCC1COc2cc(CO)c(Cl)cc2O1
InChIInChI=1S/C10H11ClO3/c1-6-5-13-9-2-7(4-12)8(11)3-10(9)14-6/h2-3,6,12H,4-5H2,1H3
InChIKeyINCSWLMCFVBVTP-UHFFFAOYSA-N
XLogP1.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The IUPAC name of (6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (CID 170357968) is (6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol.
What is the SMILES notation for (6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The canonical SMILES for (6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol is CC1COc2cc(CO)c(Cl)cc2O1.
What is the InChIKey of (6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The InChIKey is INCSWLMCFVBVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6-5-13-9-2-7(4-12)8(11)3-10(9)14-6/h2-3,6,12H,4-5H2,1H3.
What are the key properties of (6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
(6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol has a molecular weight of 214.65 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol is sourced from PubChem (CID 170357968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).