1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol

C11H15ClO4 — CID 84705859

IUPAC1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(C(C)O)c(OC)c(Cl)c1OC
InChIInChI=1S/C11H15ClO4/c1-6(13)7-5-8(14-2)11(16-4)9(12)10(7)15-3/h5-6,13H,1-4H3
InChIKeySQZLKIULDYUYSB-UHFFFAOYSA-N
MW246.69 g/mol
LogP2.42
Rot. Bonds4

About 1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol

1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol (PubChem CID 84705859) has the molecular formula C11H15ClO4 and a molecular weight of 246.69 g/mol. Its IUPAC name is 1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol
PubChem CID84705859
Molecular FormulaC11H15ClO4
Molecular Weight246.69 g/mol
Exact Mass246.07
IUPAC Name1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(C(C)O)c(OC)c(Cl)c1OC
InChIInChI=1S/C11H15ClO4/c1-6(13)7-5-8(14-2)11(16-4)9(12)10(7)15-3/h5-6,13H,1-4H3
InChIKeySQZLKIULDYUYSB-UHFFFAOYSA-N
XLogP2.42
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol
CID 117354046
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol
CID 84692296
1-[5-[3,5-bis(1-hydroxyethyl)-4-methoxyphenoxy]-3-(1-hydroxyethyl)-2-methoxyphenyl]ethanol
CID 122629520
(1S)-1-(2-chloro-3-methoxyphenyl)ethanol
CID 124638298
4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene
CID 167036227
3-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)butanal
CID 117400418
3-[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377157
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol?
The IUPAC name of 1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol (CID 84705859) is 1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol is COc1cc(C(C)O)c(OC)c(Cl)c1OC.
What is the InChIKey of 1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol?
The InChIKey is SQZLKIULDYUYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO4/c1-6(13)7-5-8(14-2)11(16-4)9(12)10(7)15-3/h5-6,13H,1-4H3.
What are the key properties of 1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol?
1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol has a molecular weight of 246.69 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol is sourced from PubChem (CID 84705859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).