1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene

C25H28O3 — CID 139821810

IUPAC1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene
SMILESCOc1c(C)c(C)c(OC)c(Cc2ccccc2OCc2ccccc2)c1C
InChIInChI=1S/C25H28O3/c1-17-18(2)25(27-5)22(19(3)24(17)26-4)15-21-13-9-10-14-23(21)28-16-20-11-7-6-8-12-20/h6-14H,15-16H2,1-5H3
InChIKeyAPRNQVRIBWAEPK-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.80
Rot. Bonds7

About 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene

1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene (PubChem CID 139821810) has the molecular formula C25H28O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene
PubChem CID139821810
Molecular FormulaC25H28O3
Molecular Weight376.50 g/mol
Exact Mass376.20
IUPAC Name1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene
SMILESCOc1c(C)c(C)c(OC)c(Cc2ccccc2OCc2ccccc2)c1C
InChIInChI=1S/C25H28O3/c1-17-18(2)25(27-5)22(19(3)24(17)26-4)15-21-13-9-10-14-23(21)28-16-20-11-7-6-8-12-20/h6-14H,15-16H2,1-5H3
InChIKeyAPRNQVRIBWAEPK-UHFFFAOYSA-N
XLogP5.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene
CID 142628301
1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117455653
O-[2-(2-methoxy-3-phenylmethoxyphenyl)ethyl]hydroxylamine
CID 117435855
2-[[3-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]phenyl]methoxy]benzoic acid
CID 174452504
(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine
CID 86653767
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
1-(2-methoxyphenyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]methanamine
CID 29147383
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
ethane;(2-methyl-3-phenylmethoxyphenyl)methanol
CID 143384106
(4-methoxy-3-methyl-5-phenylmethoxy-2-pyridinyl)methanol
CID 54539942

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene?
The IUPAC name of 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene (CID 139821810) is 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene.
What is the SMILES notation for 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene?
The canonical SMILES for 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene is COc1c(C)c(C)c(OC)c(Cc2ccccc2OCc2ccccc2)c1C.
What is the InChIKey of 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene?
The InChIKey is APRNQVRIBWAEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O3/c1-17-18(2)25(27-5)22(19(3)24(17)26-4)15-21-13-9-10-14-23(21)28-16-20-11-7-6-8-12-20/h6-14H,15-16H2,1-5H3.
What are the key properties of 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene?
1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene has a molecular weight of 376.50 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene is sourced from PubChem (CID 139821810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).