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

C16H16O2 — CID 15526486

IUPAC3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol
SMILESOC(c1ccccc1)C1OCCc2ccccc21
InChIInChI=1S/C16H16O2/c17-15(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-18-16/h1-9,15-17H,10-11H2
InChIKeyNQJLKLNRKKKNTC-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.03
Rot. Bonds2

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

3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol (PubChem CID 15526486) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol
PubChem CID15526486
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol
SMILESOC(c1ccccc1)C1OCCc2ccccc21
InChIInChI=1S/C16H16O2/c17-15(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-18-16/h1-9,15-17H,10-11H2
InChIKeyNQJLKLNRKKKNTC-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 105133287
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine
CID 105083589
3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol
CID 105120022
(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-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 107361957
(3-bromo-2,6-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 106945182
3,4-dihydro-1H-isochromen-1-yl-(3-methylphenyl)methanamine
CID 105090457
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol
CID 105120750
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylbut-2-en-1-amine
CID 105163207

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol?
The IUPAC name of 3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol (CID 15526486) is 3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol?
The canonical SMILES for 3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol is OC(c1ccccc1)C1OCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol?
The InChIKey is NQJLKLNRKKKNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c17-15(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-18-16/h1-9,15-17H,10-11H2.
What are the key properties of 3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol?
3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol has a molecular weight of 240.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol is sourced from PubChem (CID 15526486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).