6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol

C21H30O3 — CID 144887319

IUPAC6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol
SMILESCCCC1(c2c(C)ccc(OC)c2O)CC(OC)=CC=C1C(C)C
InChIInChI=1S/C21H30O3/c1-7-12-21(13-16(23-5)9-10-17(21)14(2)3)19-15(4)8-11-18(24-6)20(19)22/h8-11,14,22H,7,12-13H2,1-6H3
InChIKeyRSMQASDEKOKRPK-UHFFFAOYSA-N
MW330.47 g/mol
LogP5.26
Rot. Bonds6

About 6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol

6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol (PubChem CID 144887319) has the molecular formula C21H30O3 and a molecular weight of 330.47 g/mol. Its IUPAC name is 6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol.

Molecular Properties

Compound Name6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol
PubChem CID144887319
Molecular FormulaC21H30O3
Molecular Weight330.47 g/mol
Exact Mass330.22
IUPAC Name6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol
SMILESCCCC1(c2c(C)ccc(OC)c2O)CC(OC)=CC=C1C(C)C
InChIInChI=1S/C21H30O3/c1-7-12-21(13-16(23-5)9-10-17(21)14(2)3)19-15(4)8-11-18(24-6)20(19)22/h8-11,14,22H,7,12-13H2,1-6H3
InChIKeyRSMQASDEKOKRPK-UHFFFAOYSA-N
XLogP5.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol with MolForge

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Related Compounds

2-[(1R,4aS)-6-methoxy-1,2-dimethyl-1,3,4,5-tetrahydroisoquinolin-4a-yl]-6-methoxy-3-methylphenol
CID 145025346
6-methoxy-2-(6-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-isoquinolin-4a-yl)-3-methylphenol
CID 142473817
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
6-methoxy-3-methyl-2-propylphenol
CID 170766303
1-(2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344776
2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol
CID 117286277
ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate
CID 105481737
2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol
CID 117342969
3,6-dimethoxy-2-methylphenol
CID 13158257
17-(cyclopropylmethyl)-4,13-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,12-pentaen-3-ol
CID 142473832
2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
2-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-6-methylphenol
CID 115904873

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol?
The IUPAC name of 6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol (CID 144887319) is 6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol.
What is the SMILES notation for 6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol?
The canonical SMILES for 6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol is CCCC1(c2c(C)ccc(OC)c2O)CC(OC)=CC=C1C(C)C.
What is the InChIKey of 6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol?
The InChIKey is RSMQASDEKOKRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O3/c1-7-12-21(13-16(23-5)9-10-17(21)14(2)3)19-15(4)8-11-18(24-6)20(19)22/h8-11,14,22H,7,12-13H2,1-6H3.
What are the key properties of 6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol?
6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol has a molecular weight of 330.47 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(5-methoxy-2-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)-3-methylphenol is sourced from PubChem (CID 144887319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).