(3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene

C19H22O5 — CID 67243467

IUPAC(3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene
SMILESCOCOc1ccc([C@H]2COc3cc(OCOC)ccc3C2)cc1
InChIInChI=1S/C19H22O5/c1-20-12-23-17-6-3-14(4-7-17)16-9-15-5-8-18(24-13-21-2)10-19(15)22-11-16/h3-8,10,16H,9,11-13H2,1-2H3/t16-/m1/s1
InChIKeyXTXOTBRGNNOVBM-MRXNPFEDSA-N
MW330.38 g/mol
LogP3.37
Rot. Bonds7

About (3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene

(3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene (PubChem CID 67243467) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene
PubChem CID67243467
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene
SMILESCOCOc1ccc([C@H]2COc3cc(OCOC)ccc3C2)cc1
InChIInChI=1S/C19H22O5/c1-20-12-23-17-6-3-14(4-7-17)16-9-15-5-8-18(24-13-21-2)10-19(15)22-11-16/h3-8,10,16H,9,11-13H2,1-2H3/t16-/m1/s1
InChIKeyXTXOTBRGNNOVBM-MRXNPFEDSA-N
XLogP3.37
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene?
The IUPAC name of (3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene (CID 67243467) is (3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for (3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for (3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene is COCOc1ccc([C@H]2COc3cc(OCOC)ccc3C2)cc1.
What is the InChIKey of (3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene?
The InChIKey is XTXOTBRGNNOVBM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22O5/c1-20-12-23-17-6-3-14(4-7-17)16-9-15-5-8-18(24-13-21-2)10-19(15)22-11-16/h3-8,10,16H,9,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene?
(3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene has a molecular weight of 330.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 67243467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).