1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene

C17H20O3 — CID 139567756

IUPAC1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene
SMILESCOc1cc(Cc2c(OC)cccc2OC)ccc1C
InChIInChI=1S/C17H20O3/c1-12-8-9-13(11-17(12)20-4)10-14-15(18-2)6-5-7-16(14)19-3/h5-9,11H,10H2,1-4H3
InChIKeyOPVQSIJCTWIDAG-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.61
Rot. Bonds5

About 1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene

1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene (PubChem CID 139567756) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene
PubChem CID139567756
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene
SMILESCOc1cc(Cc2c(OC)cccc2OC)ccc1C
InChIInChI=1S/C17H20O3/c1-12-8-9-13(11-17(12)20-4)10-14-15(18-2)6-5-7-16(14)19-3/h5-9,11H,10H2,1-4H3
InChIKeyOPVQSIJCTWIDAG-UHFFFAOYSA-N
XLogP3.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489
1-isocyanato-2-[(4-isocyanato-3-methoxyphenyl)methyl]-3-methoxybenzene
CID 87276451
4-(3-bromopropyl)-2-methoxy-1-methylbenzene
CID 18626504
1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
CID 142811862
acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen
CID 176959319
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843594
2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 139095345
ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 142828358

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene?
The IUPAC name of 1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene (CID 139567756) is 1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene.
What is the SMILES notation for 1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene?
The canonical SMILES for 1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene is COc1cc(Cc2c(OC)cccc2OC)ccc1C.
What is the InChIKey of 1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene?
The InChIKey is OPVQSIJCTWIDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-12-8-9-13(11-17(12)20-4)10-14-15(18-2)6-5-7-16(14)19-3/h5-9,11H,10H2,1-4H3.
What are the key properties of 1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene?
1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene has a molecular weight of 272.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene is sourced from PubChem (CID 139567756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).