(3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol

C15H12Cl2O3 — CID 61081011

IUPAC(3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)C1COc2ccccc2O1
InChIInChI=1S/C15H12Cl2O3/c16-10-6-5-9(7-11(10)17)15(18)14-8-19-12-3-1-2-4-13(12)20-14/h1-7,14-15,18H,8H2
InChIKeySBAMQXDWCYIXJP-UHFFFAOYSA-N
MW311.16 g/mol
LogP3.87
Rot. Bonds2

About (3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol

(3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol (PubChem CID 61081011) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
PubChem CID61081011
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name(3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)C1COc2ccccc2O1
InChIInChI=1S/C15H12Cl2O3/c16-10-6-5-9(7-11(10)17)15(18)14-8-19-12-3-1-2-4-13(12)20-14/h1-7,14-15,18H,8H2
InChIKeySBAMQXDWCYIXJP-UHFFFAOYSA-N
XLogP3.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-methylphenyl)methanol
CID 107128510
(2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 61272354
(5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 61087978
(2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 65350710
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylthiophen-2-yl)methanol
CID 81158440
3-(1-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 91622126
(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 22819017
2-(3-chlorophenyl)sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
CID 66146675
2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanol
CID 65351033
2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol
CID 65350657
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]ethanol
CID 12855736
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol (CID 61081011) is (3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol is OC(c1ccc(Cl)c(Cl)c1)C1COc2ccccc2O1.
What is the InChIKey of (3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The InChIKey is SBAMQXDWCYIXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c16-10-6-5-9(7-11(10)17)15(18)14-8-19-12-3-1-2-4-13(12)20-14/h1-7,14-15,18H,8H2.
What are the key properties of (3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
(3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol has a molecular weight of 311.16 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol is sourced from PubChem (CID 61081011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).