7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol

C19H24O6 — CID 142831876

IUPAC7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol
SMILESCOc1ccc2c(c1)OC(O)CC2C1=CC(OC)C(OC)(OC)C=C1
InChIInChI=1S/C19H24O6/c1-21-13-5-6-14-15(11-18(20)25-16(14)10-13)12-7-8-19(23-3,24-4)17(9-12)22-2/h5-10,15,17-18,20H,11H2,1-4H3
InChIKeyROJQFCIQRLFQNP-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.38
Rot. Bonds5

About 7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol

7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol (PubChem CID 142831876) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is 7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol.

Molecular Properties

Compound Name7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol
PubChem CID142831876
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol
SMILESCOc1ccc2c(c1)OC(O)CC2C1=CC(OC)C(OC)(OC)C=C1
InChIInChI=1S/C19H24O6/c1-21-13-5-6-14-15(11-18(20)25-16(14)10-13)12-7-8-19(23-3,24-4)17(9-12)22-2/h5-10,15,17-18,20H,11H2,1-4H3
InChIKeyROJQFCIQRLFQNP-UHFFFAOYSA-N
XLogP2.38
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol?
The IUPAC name of 7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol (CID 142831876) is 7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol.
What is the SMILES notation for 7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol?
The canonical SMILES for 7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol is COc1ccc2c(c1)OC(O)CC2C1=CC(OC)C(OC)(OC)C=C1.
What is the InChIKey of 7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol?
The InChIKey is ROJQFCIQRLFQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O6/c1-21-13-5-6-14-15(11-18(20)25-16(14)10-13)12-7-8-19(23-3,24-4)17(9-12)22-2/h5-10,15,17-18,20H,11H2,1-4H3.
What are the key properties of 7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol?
7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol has a molecular weight of 348.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(3,4,4-trimethoxycyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-chromen-2-ol is sourced from PubChem (CID 142831876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).