5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene

C18H21ClO5 — CID 91335620

IUPAC5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene
SMILESCOc1cc(OC(C)COc2ccccc2Cl)cc(OC)c1OC
InChIInChI=1S/C18H21ClO5/c1-12(11-23-15-8-6-5-7-14(15)19)24-13-9-16(20-2)18(22-4)17(10-13)21-3/h5-10,12H,11H2,1-4H3
InChIKeyWCPOLCCABPQJGL-UHFFFAOYSA-N
MW352.81 g/mol
LogP4.21
Rot. Bonds8

About 5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene

5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene (PubChem CID 91335620) has the molecular formula C18H21ClO5 and a molecular weight of 352.81 g/mol. Its IUPAC name is 5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene
PubChem CID91335620
Molecular FormulaC18H21ClO5
Molecular Weight352.81 g/mol
Exact Mass352.11
IUPAC Name5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene
SMILESCOc1cc(OC(C)COc2ccccc2Cl)cc(OC)c1OC
InChIInChI=1S/C18H21ClO5/c1-12(11-23-15-8-6-5-7-14(15)19)24-13-9-16(20-2)18(22-4)17(10-13)21-3/h5-10,12H,11H2,1-4H3
InChIKeyWCPOLCCABPQJGL-UHFFFAOYSA-N
XLogP4.21
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
4-(3,4,5-trimethoxyphenoxy)pentan-2-one
CID 113408873
1-chloro-2-methoxybenzene
CID 13011
(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484
2,4-dichloro-1-[2-(4-fluorophenoxy)propoxy]benzene
CID 57170883
(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine
CID 39109828
2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene
CID 2283961
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050
1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene
CID 58044467
1-(2-chlorophenoxy)-5-methylhexane-2,3-diol
CID 118334255
2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 117244582

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene (CID 91335620) is 5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene is COc1cc(OC(C)COc2ccccc2Cl)cc(OC)c1OC.
What is the InChIKey of 5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene?
The InChIKey is WCPOLCCABPQJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO5/c1-12(11-23-15-8-6-5-7-14(15)19)24-13-9-16(20-2)18(22-4)17(10-13)21-3/h5-10,12H,11H2,1-4H3.
What are the key properties of 5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene?
5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene has a molecular weight of 352.81 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 91335620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).