1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol

C17H18Cl2O2 — CID 107312517

IUPAC1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(CCC(O)Cc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H18Cl2O2/c1-21-15-9-6-12(7-10-15)5-8-14(20)11-13-3-2-4-16(18)17(13)19/h2-4,6-7,9-10,14,20H,5,8,11H2,1H3
InChIKeyOBDGQNFONUECMR-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.54
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol

1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol (PubChem CID 107312517) has the molecular formula C17H18Cl2O2 and a molecular weight of 325.24 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol
PubChem CID107312517
Molecular FormulaC17H18Cl2O2
Molecular Weight325.24 g/mol
Exact Mass324.07
IUPAC Name1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(CCC(O)Cc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H18Cl2O2/c1-21-15-9-6-12(7-10-15)5-8-14(20)11-13-3-2-4-16(18)17(13)19/h2-4,6-7,9-10,14,20H,5,8,11H2,1H3
InChIKeyOBDGQNFONUECMR-UHFFFAOYSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 65444557
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373626
1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107103367
1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115802735
1-(2,3-dichlorophenyl)heptan-2-ol
CID 107307492
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
1-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63018440
1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
CID 107308125
4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
CID 63016896
1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol
CID 65327369
1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
CID 82290486
1-(2,3-dichlorophenyl)hexane-2,3-diol
CID 107308307

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol (CID 107312517) is 1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol is COc1ccc(CCC(O)Cc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol?
The InChIKey is OBDGQNFONUECMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O2/c1-21-15-9-6-12(7-10-15)5-8-14(20)11-13-3-2-4-16(18)17(13)19/h2-4,6-7,9-10,14,20H,5,8,11H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol?
1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol has a molecular weight of 325.24 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 107312517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).