2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene

C14H21ClO2 — CID 68785646

IUPAC2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1cccc(OC(C)(C)C)c1Cl
InChIInChI=1S/C14H21ClO2/c1-13(2,3)16-10-8-7-9-11(12(10)15)17-14(4,5)6/h7-9H,1-6H3
InChIKeyVXTNNUPZHSIRGS-UHFFFAOYSA-N
MW256.77 g/mol
LogP4.69
Rot. Bonds2

About 2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene

2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 68785646) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
PubChem CID68785646
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1cccc(OC(C)(C)C)c1Cl
InChIInChI=1S/C14H21ClO2/c1-13(2,3)16-10-8-7-9-11(12(10)15)17-14(4,5)6/h7-9H,1-6H3
InChIKeyVXTNNUPZHSIRGS-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 162775400
2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 91197714
2,3-bis[(2-methylpropan-2-yl)oxy]phenol
CID 22734690
2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
CID 118333609
CID 155601631
CID 155601631
CID 155601617
CID 155601617
1,2-bis(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]benzene
CID 173271826
1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene
CID 70807903
2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine
CID 10585519
2-(2,3-dichlorophenoxy)-2-methylpropanamide
CID 53255066
1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 11298360
3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine
CID 174313071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene (CID 68785646) is 2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1cccc(OC(C)(C)C)c1Cl.
What is the InChIKey of 2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is VXTNNUPZHSIRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-13(2,3)16-10-8-7-9-11(12(10)15)17-14(4,5)6/h7-9H,1-6H3.
What are the key properties of 2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene?
2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 256.77 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 68785646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).