3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol

C16H16O2 — CID 10728752

IUPAC3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol
SMILESCC1(c2ccccc2)Cc2ccccc2C(O)O1
InChIInChI=1S/C16H16O2/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15(17)18-16/h2-10,15,17H,11H2,1H3
InChIKeyVKOLDTGWVWEORS-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.17
Rot. Bonds1

About 3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol

3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol (PubChem CID 10728752) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol.

Molecular Properties

Compound Name3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol
PubChem CID10728752
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol
SMILESCC1(c2ccccc2)Cc2ccccc2C(O)O1
InChIInChI=1S/C16H16O2/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15(17)18-16/h2-10,15,17H,11H2,1H3
InChIKeyVKOLDTGWVWEORS-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
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(1R,2R)-1-methyl-2-phenyl-1,3-dihydroinden-2-ol
CID 14449205
1-bromo-2-methyl-1,3-dihydroinden-2-ol
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(2S)-2-methyl-2-phenyloxirane
CID 11629614
(1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol
CID 138485256
(1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol
CID 138485254
(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol
CID 125481717
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
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3-hydroxy-5-methyl-5-phenyloxolan-2-one
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(2S)-2-methyl-2-phenyl-3,4-dihydropyran-4-ol
CID 100966337

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol?
The IUPAC name of 3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol (CID 10728752) is 3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol.
What is the SMILES notation for 3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol?
The canonical SMILES for 3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol is CC1(c2ccccc2)Cc2ccccc2C(O)O1.
What is the InChIKey of 3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol?
The InChIKey is VKOLDTGWVWEORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15(17)18-16/h2-10,15,17H,11H2,1H3.
What are the key properties of 3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol?
3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol has a molecular weight of 240.30 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol is sourced from PubChem (CID 10728752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).