[2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol

C22H26O5 — CID 146373867

IUPAC[2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol
SMILESCOc1ccc2c(c1CO)CCCC=C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H26O5/c1-24-19-10-9-17-15(7-5-6-8-16(17)18(19)13-23)14-11-20(25-2)22(27-4)21(12-14)26-3/h7,9-12,23H,5-6,8,13H2,1-4H3
InChIKeyZQALKGGAGNESAP-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.98
Rot. Bonds6

About [2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol

[2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol (PubChem CID 146373867) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is [2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol
PubChem CID146373867
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name[2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol
SMILESCOc1ccc2c(c1CO)CCCC=C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H26O5/c1-24-19-10-9-17-15(7-5-6-8-16(17)18(19)13-23)14-11-20(25-2)22(27-4)21(12-14)26-3/h7,9-12,23H,5-6,8,13H2,1-4H3
InChIKeyZQALKGGAGNESAP-UHFFFAOYSA-N
XLogP3.98
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol?
The IUPAC name of [2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol (CID 146373867) is [2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol.
What is the SMILES notation for [2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol?
The canonical SMILES for [2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol is COc1ccc2c(c1CO)CCCC=C2c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of [2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol?
The InChIKey is ZQALKGGAGNESAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5/c1-24-19-10-9-17-15(7-5-6-8-16(17)18(19)13-23)14-11-20(25-2)22(27-4)21(12-14)26-3/h7,9-12,23H,5-6,8,13H2,1-4H3.
What are the key properties of [2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol?
[2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol has a molecular weight of 370.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-yl]methanol is sourced from PubChem (CID 146373867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).