(3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene

C17H18O3 — CID 100986544

IUPAC(3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@H]2COc3ccccc3C2)cc1OC
InChIInChI=1S/C17H18O3/c1-18-16-8-7-12(10-17(16)19-2)14-9-13-5-3-4-6-15(13)20-11-14/h3-8,10,14H,9,11H2,1-2H3/t14-/m1/s1
InChIKeyPWYPJIGHECXPME-CQSZACIVSA-N
MW270.33 g/mol
LogP3.42
Rot. Bonds3

About (3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene

(3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene (PubChem CID 100986544) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene
PubChem CID100986544
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@H]2COc3ccccc3C2)cc1OC
InChIInChI=1S/C17H18O3/c1-18-16-8-7-12(10-17(16)19-2)14-9-13-5-3-4-6-15(13)20-11-14/h3-8,10,14H,9,11H2,1-2H3/t14-/m1/s1
InChIKeyPWYPJIGHECXPME-CQSZACIVSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene 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

3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 42604621
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 15536179
3-(3-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 146276535
[8-[dihydroxy(phenyl)methyl]-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]-phenylmethanediol
CID 70393683
7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol
CID 15628202
3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 154305327
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
azane;7-(3,4-dimethoxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 67741976
4-[(1R,2R,3S,4S)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 16756782
4-[(1S,2S,3R,4R)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 166441849
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
4-(3,4-dimethoxyphenyl)-1,4-dihydroisochromen-3-one
CID 101438630

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene?
The IUPAC name of (3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene (CID 100986544) is (3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for (3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for (3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene is COc1ccc([C@H]2COc3ccccc3C2)cc1OC.
What is the InChIKey of (3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene?
The InChIKey is PWYPJIGHECXPME-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18O3/c1-18-16-8-7-12(10-17(16)19-2)14-9-13-5-3-4-6-15(13)20-11-14/h3-8,10,14H,9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of (3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene?
(3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene has a molecular weight of 270.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 100986544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).