(6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol

C17H22O4 — CID 25131792

IUPAC(6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol
SMILESC=C/C1=C/CCCc2cc(OC)c(OC)c(OC)c2C1O
InChIInChI=1S/C17H22O4/c1-5-11-8-6-7-9-12-10-13(19-2)16(20-3)17(21-4)14(12)15(11)18/h5,8,10,15,18H,1,6-7,9H2,2-4H3/b11-8-
InChIKeyRMEJJKRBJKCAJA-FLIBITNWSA-N
MW290.36 g/mol
LogP3.19
Rot. Bonds4

About (6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol

(6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol (PubChem CID 25131792) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is (6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol.

Molecular Properties

Compound Name(6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol
PubChem CID25131792
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name(6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol
SMILESC=C/C1=C/CCCc2cc(OC)c(OC)c(OC)c2C1O
InChIInChI=1S/C17H22O4/c1-5-11-8-6-7-9-12-10-13(19-2)16(20-3)17(21-4)14(12)15(11)18/h5,8,10,15,18H,1,6-7,9H2,2-4H3/b11-8-
InChIKeyRMEJJKRBJKCAJA-FLIBITNWSA-N
XLogP3.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol with MolForge

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Related Compounds

2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 24973086
1,1-dibromo-5,6,7-trimethoxy-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene
CID 11486151
(9R)-3,4,5,14,15,16-hexamethoxy-9-methyl-10-methylidenetricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-ol
CID 100958787
[3-(hydroxymethyl)-5,6,7-trimethoxy-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 72773069
6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83970461
7,8-dimethoxy-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one
CID 19820648
4-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene
CID 151156491
6,7-dimethoxy-8-nitro-1,2,3,4-tetrahydroisoquinolin-1-ol
CID 71428159
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
(8R,10S)-10-(iodomethyl)-3,4,5,14,15,16-hexamethoxy-9-methylidenetricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-8-ol
CID 10030597
15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol
CID 57409695
7,8,9-trimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 609958

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol?
The IUPAC name of (6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol (CID 25131792) is (6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol.
What is the SMILES notation for (6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol?
The canonical SMILES for (6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol is C=C/C1=C/CCCc2cc(OC)c(OC)c(OC)c2C1O.
What is the InChIKey of (6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol?
The InChIKey is RMEJJKRBJKCAJA-FLIBITNWSA-N. The full InChI is InChI=1S/C17H22O4/c1-5-11-8-6-7-9-12-10-13(19-2)16(20-3)17(21-4)14(12)15(11)18/h5,8,10,15,18H,1,6-7,9H2,2-4H3/b11-8-.
What are the key properties of (6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol?
(6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol has a molecular weight of 290.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-ethenyl-2,3,4-trimethoxy-5,8,9,10-tetrahydrobenzo[8]annulen-5-ol is sourced from PubChem (CID 25131792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).