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

C14H17ClO4 — CID 62906919

IUPAC(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol
SMILESOC(c1cc2c(cc1Cl)OCCO2)C1CCOCC1
InChIInChI=1S/C14H17ClO4/c15-11-8-13-12(18-5-6-19-13)7-10(11)14(16)9-1-3-17-4-2-9/h7-9,14,16H,1-6H2
InChIKeyGUORSXCZNYQDIW-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.57
Rot. Bonds2

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

(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol (PubChem CID 62906919) has the molecular formula C14H17ClO4 and a molecular weight of 284.74 g/mol. Its IUPAC name is (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol
PubChem CID62906919
Molecular FormulaC14H17ClO4
Molecular Weight284.74 g/mol
Exact Mass284.08
IUPAC Name(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol
SMILESOC(c1cc2c(cc1Cl)OCCO2)C1CCOCC1
InChIInChI=1S/C14H17ClO4/c15-11-8-13-12(18-5-6-19-13)7-10(11)14(16)9-1-3-17-4-2-9/h7-9,14,16H,1-6H2
InChIKeyGUORSXCZNYQDIW-UHFFFAOYSA-N
XLogP2.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-piperidin-3-ylmethanol
CID 43330491
(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 82759401
(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
CID 64713264
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 61082590
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine
CID 43152791
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,3,3-trifluoropropan-1-ol
CID 61082788
N-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 61276689
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanol
CID 61083339
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyclopropylethanamine
CID 55031996
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylbutan-1-ol
CID 61082388
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-cyclopropylmethanamine
CID 43152826
(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 82758605

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol?
The IUPAC name of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol (CID 62906919) is (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol.
What is the SMILES notation for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol?
The canonical SMILES for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol is OC(c1cc2c(cc1Cl)OCCO2)C1CCOCC1.
What is the InChIKey of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol?
The InChIKey is GUORSXCZNYQDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO4/c15-11-8-13-12(18-5-6-19-13)7-10(11)14(16)9-1-3-17-4-2-9/h7-9,14,16H,1-6H2.
What are the key properties of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol?
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol has a molecular weight of 284.74 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol is sourced from PubChem (CID 62906919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).