2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol

C17H18O3 — CID 114714858

IUPAC2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
SMILESCOCc1ccccc1C1CC(O)c2ccccc2O1
InChIInChI=1S/C17H18O3/c1-19-11-12-6-2-3-7-13(12)17-10-15(18)14-8-4-5-9-16(14)20-17/h2-9,15,17-18H,10-11H2,1H3
InChIKeyROFCRIDJJMCUGP-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.39
Rot. Bonds3

About 2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol

2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714858) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714858
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
SMILESCOCc1ccccc1C1CC(O)c2ccccc2O1
InChIInChI=1S/C17H18O3/c1-19-11-12-6-2-3-7-13(12)17-10-15(18)14-8-4-5-9-16(14)20-17/h2-9,15,17-18H,10-11H2,1H3
InChIKeyROFCRIDJJMCUGP-UHFFFAOYSA-N
XLogP3.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104949102
(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104948044
(4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949776
(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949924
(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 134948340
(4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950152
(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
(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950145
(4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104949764
2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 161182223
(2R,4R)-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 92935775

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol (CID 114714858) is 2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol is COCc1ccccc1C1CC(O)c2ccccc2O1.
What is the InChIKey of 2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ROFCRIDJJMCUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-19-11-12-6-2-3-7-13(12)17-10-15(18)14-8-4-5-9-16(14)20-17/h2-9,15,17-18H,10-11H2,1H3.
What are the key properties of 2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 270.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).