1,2,3-trichloro-4-pentoxybenzene

C11H13Cl3O — CID 101293544

IUPAC1,2,3-trichloro-4-pentoxybenzene
SMILESCCCCCOc1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H13Cl3O/c1-2-3-4-7-15-9-6-5-8(12)10(13)11(9)14/h5-6H,2-4,7H2,1H3
InChIKeyMEOQBXFUMIURKI-UHFFFAOYSA-N
MW267.58 g/mol
LogP5.22
Rot. Bonds5

About 1,2,3-trichloro-4-pentoxybenzene

1,2,3-trichloro-4-pentoxybenzene (PubChem CID 101293544) has the molecular formula C11H13Cl3O and a molecular weight of 267.58 g/mol. Its IUPAC name is 1,2,3-trichloro-4-pentoxybenzene.

Molecular Properties

Compound Name1,2,3-trichloro-4-pentoxybenzene
PubChem CID101293544
Molecular FormulaC11H13Cl3O
Molecular Weight267.58 g/mol
Exact Mass266.00
IUPAC Name1,2,3-trichloro-4-pentoxybenzene
SMILESCCCCCOc1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H13Cl3O/c1-2-3-4-7-15-9-6-5-8(12)10(13)11(9)14/h5-6H,2-4,7H2,1H3
InChIKeyMEOQBXFUMIURKI-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.58
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trichloro-4-octoxybenzene
CID 23191648
1,2,3,4-tetrachloro-5-heptoxybenzene
CID 101293567
2-chloro-4-methylsulfanyl-1-pentoxybenzene
CID 91657258
1,4-dichloro-5,8-didodecoxyanthracene-9,10-dione
CID 100986131
1,2-dichloro-3-methyl-4-propoxybenzene
CID 156723250
N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine
CID 2248800
3-chloro-4-pentoxyaniline;hydrochloride
CID 134110655
1-chloro-4-fluoro-2-octoxybenzene
CID 114264358
3-chloro-4-nonoxyaniline
CID 43129005
1,2,4-trichloro-5-undecoxybenzene
CID 518118
6,7-dichloro-1,4,9,10-tetra(heptadecoxy)anthracene
CID 139930013
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-4-pentoxybenzene?
The IUPAC name of 1,2,3-trichloro-4-pentoxybenzene (CID 101293544) is 1,2,3-trichloro-4-pentoxybenzene.
What is the SMILES notation for 1,2,3-trichloro-4-pentoxybenzene?
The canonical SMILES for 1,2,3-trichloro-4-pentoxybenzene is CCCCCOc1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3-trichloro-4-pentoxybenzene?
The InChIKey is MEOQBXFUMIURKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3O/c1-2-3-4-7-15-9-6-5-8(12)10(13)11(9)14/h5-6H,2-4,7H2,1H3.
What are the key properties of 1,2,3-trichloro-4-pentoxybenzene?
1,2,3-trichloro-4-pentoxybenzene has a molecular weight of 267.58 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloro-4-pentoxybenzene is sourced from PubChem (CID 101293544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).