1-(4-chlorophenyl)-2,3,4-trimethoxybenzene

C15H15ClO3 — CID 57161799

IUPAC1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
SMILESCOc1ccc(-c2ccc(Cl)cc2)c(OC)c1OC
InChIInChI=1S/C15H15ClO3/c1-17-13-9-8-12(14(18-2)15(13)19-3)10-4-6-11(16)7-5-10/h4-9H,1-3H3
InChIKeyFJPNKRKERSAOIU-UHFFFAOYSA-N
MW278.74 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-chlorophenyl)-2,3,4-trimethoxybenzene

1-(4-chlorophenyl)-2,3,4-trimethoxybenzene (PubChem CID 57161799) has the molecular formula C15H15ClO3 and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,3,4-trimethoxybenzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
PubChem CID57161799
Molecular FormulaC15H15ClO3
Molecular Weight278.74 g/mol
Exact Mass278.07
IUPAC Name1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
SMILESCOc1ccc(-c2ccc(Cl)cc2)c(OC)c1OC
InChIInChI=1S/C15H15ClO3/c1-17-13-9-8-12(14(18-2)15(13)19-3)10-4-6-11(16)7-5-10/h4-9H,1-3H3
InChIKeyFJPNKRKERSAOIU-UHFFFAOYSA-N
XLogP4.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 15011206
2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
CID 82039666
2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline
CID 61025129
2-oxo-2-[4-(2,3,4-trimethoxyphenyl)phenyl]acetaldehyde
CID 39233741
adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)
CID 175349946
1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501482
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037
N-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide
CID 72929504
1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501596
4,6-dichloro-5-fluoro-2-(2,3,4-trimethoxyphenyl)pyrimidine
CID 80550935
5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole
CID 58178294
4-(4-chloro-2-methoxyphenyl)pyridin-1-ium
CID 143833713

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,3,4-trimethoxybenzene?
The IUPAC name of 1-(4-chlorophenyl)-2,3,4-trimethoxybenzene (CID 57161799) is 1-(4-chlorophenyl)-2,3,4-trimethoxybenzene.
What is the SMILES notation for 1-(4-chlorophenyl)-2,3,4-trimethoxybenzene?
The canonical SMILES for 1-(4-chlorophenyl)-2,3,4-trimethoxybenzene is COc1ccc(-c2ccc(Cl)cc2)c(OC)c1OC.
What is the InChIKey of 1-(4-chlorophenyl)-2,3,4-trimethoxybenzene?
The InChIKey is FJPNKRKERSAOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3/c1-17-13-9-8-12(14(18-2)15(13)19-3)10-4-6-11(16)7-5-10/h4-9H,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2,3,4-trimethoxybenzene?
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene has a molecular weight of 278.74 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,3,4-trimethoxybenzene is sourced from PubChem (CID 57161799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).