1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene

C33H34O3 — CID 142628301

IUPAC1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene
SMILESCOc1c(C)c(C)c(OCc2ccccc2)c(/C=C/Cc2ccccc2OCc2ccccc2)c1C
InChIInChI=1S/C33H34O3/c1-24-25(2)33(36-23-28-16-9-6-10-17-28)30(26(3)32(24)34-4)20-13-19-29-18-11-12-21-31(29)35-22-27-14-7-5-8-15-27/h5-18,20-21H,19,22-23H2,1-4H3/b20-13+
InChIKeyINCQURKYINAKIX-DEDYPNTBSA-N
MW478.63 g/mol
LogP8.03
Rot. Bonds10

About 1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene

1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene (PubChem CID 142628301) has the molecular formula C33H34O3 and a molecular weight of 478.63 g/mol. Its IUPAC name is 1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene
PubChem CID142628301
Molecular FormulaC33H34O3
Molecular Weight478.63 g/mol
Exact Mass478.25
IUPAC Name1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene
SMILESCOc1c(C)c(C)c(OCc2ccccc2)c(/C=C/Cc2ccccc2OCc2ccccc2)c1C
InChIInChI=1S/C33H34O3/c1-24-25(2)33(36-23-28-16-9-6-10-17-28)30(26(3)32(24)34-4)20-13-19-29-18-11-12-21-31(29)35-22-27-14-7-5-8-15-27/h5-18,20-21H,19,22-23H2,1-4H3/b20-13+
InChIKeyINCQURKYINAKIX-DEDYPNTBSA-N
XLogP8.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.63
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene
CID 139821810
2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde
CID 86653777
1-[2,4-bis(phenylmethoxy)phenyl]-3-(2-methoxy-3,4,6-trimethyl-5-phenylmethoxyphenyl)prop-2-en-1-one
CID 54134637
2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995
1-methoxy-2-(4-phenylbut-2-enyl)benzene
CID 91447895
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate
CID 70194368
1-[(E)-3-methoxyprop-1-enyl]-2-phenylmethoxybenzene
CID 141153836
O-[2-(2-methoxy-3-phenylmethoxyphenyl)ethyl]hydroxylamine
CID 117435855
(Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid
CID 177394231
(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene?
The IUPAC name of 1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene (CID 142628301) is 1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene.
What is the SMILES notation for 1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene?
The canonical SMILES for 1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene is COc1c(C)c(C)c(OCc2ccccc2)c(/C=C/Cc2ccccc2OCc2ccccc2)c1C.
What is the InChIKey of 1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene?
The InChIKey is INCQURKYINAKIX-DEDYPNTBSA-N. The full InChI is InChI=1S/C33H34O3/c1-24-25(2)33(36-23-28-16-9-6-10-17-28)30(26(3)32(24)34-4)20-13-19-29-18-11-12-21-31(29)35-22-27-14-7-5-8-15-27/h5-18,20-21H,19,22-23H2,1-4H3/b20-13+.
What are the key properties of 1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene?
1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene has a molecular weight of 478.63 g/mol, XLogP of 8.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene is sourced from PubChem (CID 142628301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).