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

C16H16O2 — CID 15536179

IUPAC(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C16H16O2/c1-17-15-8-6-12(7-9-15)14-10-13-4-2-3-5-16(13)18-11-14/h2-9,14H,10-11H2,1H3/t14-/m1/s1
InChIKeyQXHSACYYRRRSEI-CQSZACIVSA-N
MW240.30 g/mol
LogP3.41
Rot. Bonds2

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

(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene (PubChem CID 15536179) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
PubChem CID15536179
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C16H16O2/c1-17-15-8-6-12(7-9-15)14-10-13-4-2-3-5-16(13)18-11-14/h2-9,14H,10-11H2,1H3/t14-/m1/s1
InChIKeyQXHSACYYRRRSEI-CQSZACIVSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(4-methoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene?
The IUPAC name of (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene (CID 15536179) is (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene is COc1ccc([C@H]2COc3ccccc3C2)cc1.
What is the InChIKey of (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene?
The InChIKey is QXHSACYYRRRSEI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16O2/c1-17-15-8-6-12(7-9-15)14-10-13-4-2-3-5-16(13)18-11-14/h2-9,14H,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene?
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene has a molecular weight of 240.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 15536179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).