2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol

C12H16Cl2O2 — CID 116930825

IUPAC2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol
SMILESCCC(CO)Cc1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C12H16Cl2O2/c1-3-8(7-15)6-9-4-5-10(16-2)12(14)11(9)13/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyYNWMMHJSDRTPMH-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.56
Rot. Bonds5

About 2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol

2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol (PubChem CID 116930825) has the molecular formula C12H16Cl2O2 and a molecular weight of 263.16 g/mol. Its IUPAC name is 2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol
PubChem CID116930825
Molecular FormulaC12H16Cl2O2
Molecular Weight263.16 g/mol
Exact Mass262.05
IUPAC Name2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol
SMILESCCC(CO)Cc1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C12H16Cl2O2/c1-3-8(7-15)6-9-4-5-10(16-2)12(14)11(9)13/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyYNWMMHJSDRTPMH-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-amine
CID 116930931
2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol
CID 116930738
2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol
CID 116930752
N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine
CID 82551134
2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol
CID 106870597
2-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butan-1-ol
CID 116930780
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine
CID 115259497
(2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butan-1-ol
CID 66751010
(3-chloro-2-fluoro-4-methoxyphenyl)methanol
CID 84662935
2-(2,3-dichloro-4-methoxyphenyl)-2-(ethylamino)ethanol
CID 116859359
2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 116835544
2-[(4-chlorophenyl)methyl]butan-1-ol
CID 50898989

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol?
The IUPAC name of 2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol (CID 116930825) is 2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol?
The canonical SMILES for 2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol is CCC(CO)Cc1ccc(OC)c(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol?
The InChIKey is YNWMMHJSDRTPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O2/c1-3-8(7-15)6-9-4-5-10(16-2)12(14)11(9)13/h4-5,8,15H,3,6-7H2,1-2H3.
What are the key properties of 2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol?
2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol has a molecular weight of 263.16 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol is sourced from PubChem (CID 116930825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).