(3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol

C16H14Cl2O2 — CID 105133287

IUPAC(3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)C1OCCc2ccccc21
InChIInChI=1S/C16H14Cl2O2/c17-13-6-5-11(9-14(13)18)15(19)16-12-4-2-1-3-10(12)7-8-20-16/h1-6,9,15-16,19H,7-8H2
InChIKeyRUUAYCHVCOAZBW-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.34
Rot. Bonds2

About (3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol

(3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol (PubChem CID 105133287) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
PubChem CID105133287
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name(3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)C1OCCc2ccccc21
InChIInChI=1S/C16H14Cl2O2/c17-13-6-5-11(9-14(13)18)15(19)16-12-4-2-1-3-10(12)7-8-20-16/h1-6,9,15-16,19H,7-8H2
InChIKeyRUUAYCHVCOAZBW-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol
CID 15526486
3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol
CID 105120022
(3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 107361957
2-(2,4-dichlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 105086757
1-[1-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine
CID 67556712
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylbut-2-en-1-amine
CID 105163207
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 107516255
cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 105100583
(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65403370
1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 115809497
(3-bromo-2,6-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 106945182
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43111218

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol (CID 105133287) is (3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol is OC(c1ccc(Cl)c(Cl)c1)C1OCCc2ccccc21.
What is the InChIKey of (3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol?
The InChIKey is RUUAYCHVCOAZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c17-13-6-5-11(9-14(13)18)15(19)16-12-4-2-1-3-10(12)7-8-20-16/h1-6,9,15-16,19H,7-8H2.
What are the key properties of (3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol?
(3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol has a molecular weight of 309.19 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol is sourced from PubChem (CID 105133287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).