2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol

C16H16O2 — CID 114714953

IUPAC2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cccc(C2CC(O)c3ccccc3O2)c1
InChIInChI=1S/C16H16O2/c1-11-5-4-6-12(9-11)16-10-14(17)13-7-2-3-8-15(13)18-16/h2-9,14,16-17H,10H2,1H3
InChIKeyQXCLTIKPGAEZEP-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.55
Rot. Bonds1

About 2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol

2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714953) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714953
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cccc(C2CC(O)c3ccccc3O2)c1
InChIInChI=1S/C16H16O2/c1-11-5-4-6-12(9-11)16-10-14(17)13-7-2-3-8-15(13)18-16/h2-9,14,16-17H,10H2,1H3
InChIKeyQXCLTIKPGAEZEP-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715024
7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714730
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
(4R)-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950234
2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715039
(4S)-2-(3-bromo-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 105404380
2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715253
(4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949995
(2S,4S)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 11277233
2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 72766058
(4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950152
(2R,4R)-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 92935775

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714953) is 2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol is Cc1cccc(C2CC(O)c3ccccc3O2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is QXCLTIKPGAEZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-5-4-6-12(9-11)16-10-14(17)13-7-2-3-8-15(13)18-16/h2-9,14,16-17H,10H2,1H3.
What are the key properties of 2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 240.30 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).