1,4-dichloro-2-propan-2-yloxybenzene

C9H10Cl2O — CID 20527968

IUPAC1,4-dichloro-2-propan-2-yloxybenzene
SMILESCC(C)Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H10Cl2O/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,1-2H3
InChIKeyLLPFQJLKFDPDKS-UHFFFAOYSA-N
MW205.08 g/mol
LogP3.78
Rot. Bonds2

About 1,4-dichloro-2-propan-2-yloxybenzene

1,4-dichloro-2-propan-2-yloxybenzene (PubChem CID 20527968) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is 1,4-dichloro-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1,4-dichloro-2-propan-2-yloxybenzene
PubChem CID20527968
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name1,4-dichloro-2-propan-2-yloxybenzene
SMILESCC(C)Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H10Cl2O/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,1-2H3
InChIKeyLLPFQJLKFDPDKS-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-iodo-2-propan-2-yloxybenzene
CID 142659279
2-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
CID 51663788
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine
CID 62450032
1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane
CID 143667993
N-[1-(2,5-dichlorophenoxy)ethyl]-N-methylaniline
CID 70632490
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine
CID 63505082
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-propan-2-yloxybenzene?
The IUPAC name of 1,4-dichloro-2-propan-2-yloxybenzene (CID 20527968) is 1,4-dichloro-2-propan-2-yloxybenzene.
What is the SMILES notation for 1,4-dichloro-2-propan-2-yloxybenzene?
The canonical SMILES for 1,4-dichloro-2-propan-2-yloxybenzene is CC(C)Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-propan-2-yloxybenzene?
The InChIKey is LLPFQJLKFDPDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,1-2H3.
What are the key properties of 1,4-dichloro-2-propan-2-yloxybenzene?
1,4-dichloro-2-propan-2-yloxybenzene has a molecular weight of 205.08 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-propan-2-yloxybenzene is sourced from PubChem (CID 20527968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).