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

C10H11ClO2 — CID 165145782

IUPAC(8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol
SMILESOCC1COCc2c(Cl)cccc21
InChIInChI=1S/C10H11ClO2/c11-10-3-1-2-8-7(4-12)5-13-6-9(8)10/h1-3,7,12H,4-6H2
InChIKeyQBZHQPFIJLUJRZ-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.95
Rot. Bonds1

About (8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol

(8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol (PubChem CID 165145782) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is (8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol.

Molecular Properties

Compound Name(8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol
PubChem CID165145782
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name(8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol
SMILESOCC1COCc2c(Cl)cccc21
InChIInChI=1S/C10H11ClO2/c11-10-3-1-2-8-7(4-12)5-13-6-9(8)10/h1-3,7,12H,4-6H2
InChIKeyQBZHQPFIJLUJRZ-UHFFFAOYSA-N
XLogP1.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-6-chloro-1-ethenyl-3,4-dihydro-1H-isochromene
CID 134959730
2-(3-chloro-4-fluorophenyl)tetrahydro-2H-pyran-4-ol
CID 81159599
2-(2-Chlorophenyl)tetrahydro-2H-pyran-4-ol
CID 15864641
2-(4-Chlorophenyl)tetrahydro-2H-pyran-4-ol
CID 15864645
(2R,4S)-2-(4-chlorophenyl)oxan-4-ol
CID 15864644
1-(2-chloro-6-fluorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 64241847
1-(2-chloro-4-fluorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 64242412
1-(3-chloro-4-fluorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 64242415
1-(3-chloro-2-fluorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 64712446
[2-(2-Chloro-6-fluorophenyl)oxan-3-yl]methanol
CID 79372628
[2-(4-Chloro-3-fluorophenyl)oxan-3-yl]methanol
CID 79373763
[2-(3-Chloro-4-fluorophenyl)oxan-3-yl]methanol
CID 81156467

Frequently Asked Questions

What is the IUPAC name of (8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol?
The IUPAC name of (8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol (CID 165145782) is (8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol.
What is the SMILES notation for (8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol?
The canonical SMILES for (8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol is OCC1COCc2c(Cl)cccc21.
What is the InChIKey of (8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol?
The InChIKey is QBZHQPFIJLUJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c11-10-3-1-2-8-7(4-12)5-13-6-9(8)10/h1-3,7,12H,4-6H2.
What are the key properties of (8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol?
(8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol has a molecular weight of 198.65 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-3,4-dihydro-1H-isochromen-4-yl)methanol is sourced from PubChem (CID 165145782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).