5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol

C22H28O3 — CID 68730786

IUPAC5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol
SMILESCCC1(O)c2ccc(OC)cc2CCCC1(C)c1ccc(OC)cc1
InChIInChI=1S/C22H28O3/c1-5-22(23)20-13-12-19(25-4)15-16(20)7-6-14-21(22,2)17-8-10-18(24-3)11-9-17/h8-13,15,23H,5-7,14H2,1-4H3
InChIKeyRCWBMRNSQHIZHY-UHFFFAOYSA-N
MW340.46 g/mol
LogP4.60
Rot. Bonds4

About 5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol

5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol (PubChem CID 68730786) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol
PubChem CID68730786
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol
SMILESCCC1(O)c2ccc(OC)cc2CCCC1(C)c1ccc(OC)cc1
InChIInChI=1S/C22H28O3/c1-5-22(23)20-13-12-19(25-4)15-16(20)7-6-14-21(22,2)17-8-10-18(24-3)11-9-17/h8-13,15,23H,5-7,14H2,1-4H3
InChIKeyRCWBMRNSQHIZHY-UHFFFAOYSA-N
XLogP4.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
7-methoxy-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 102291297
6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol
CID 22038174
6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 43114971
2-(1-amino-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)ethanol
CID 65239684
methyl 2-[1-(ethylamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234712
ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate
CID 62394893
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
ethyl 2'-ethyl-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylate
CID 79303995
2-ethoxy-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
CID 91631099

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol?
The IUPAC name of 5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol (CID 68730786) is 5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol.
What is the SMILES notation for 5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol?
The canonical SMILES for 5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol is CCC1(O)c2ccc(OC)cc2CCCC1(C)c1ccc(OC)cc1.
What is the InChIKey of 5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol?
The InChIKey is RCWBMRNSQHIZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-5-22(23)20-13-12-19(25-4)15-16(20)7-6-14-21(22,2)17-8-10-18(24-3)11-9-17/h8-13,15,23H,5-7,14H2,1-4H3.
What are the key properties of 5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol?
5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol has a molecular weight of 340.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol is sourced from PubChem (CID 68730786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).