1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol

C17H16Cl2O2 — CID 115809497

IUPAC1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol
SMILESOC(CC1OCCc2ccccc21)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2O2/c18-12-5-6-15(19)14(9-12)16(20)10-17-13-4-2-1-3-11(13)7-8-21-17/h1-6,9,16-17,20H,7-8,10H2
InChIKeyVEARCOVDODVZAM-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.73
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol

1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol (PubChem CID 115809497) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol
PubChem CID115809497
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol
SMILESOC(CC1OCCc2ccccc21)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2O2/c18-12-5-6-15(19)14(9-12)16(20)10-17-13-4-2-1-3-11(13)7-8-21-17/h1-6,9,16-17,20H,7-8,10H2
InChIKeyVEARCOVDODVZAM-UHFFFAOYSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-iodophenyl)ethanol
CID 115809682
1-(3-chlorothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 115809638
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 79584379
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 115809555
2-(2,4-dichlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 105086757
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
CID 114982671
1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol
CID 113391319
(1S)-1-(2-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)ethanamine
CID 81374878
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115809561
3-cyclopropyl-1-(3,4-dihydro-1H-isochromen-1-yl)butan-2-ol
CID 115809715
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol
CID 65331476
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 111386147

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol (CID 115809497) is 1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol is OC(CC1OCCc2ccccc21)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol?
The InChIKey is VEARCOVDODVZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c18-12-5-6-15(19)14(9-12)16(20)10-17-13-4-2-1-3-11(13)7-8-21-17/h1-6,9,16-17,20H,7-8,10H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol?
1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol has a molecular weight of 323.22 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol is sourced from PubChem (CID 115809497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).