1-methoxy-2,3-bis(3-phenylpropyl)benzene

C25H28O — CID 57054570

IUPAC1-methoxy-2,3-bis(3-phenylpropyl)benzene
SMILESCOc1cccc(CCCc2ccccc2)c1CCCc1ccccc1
InChIInChI=1S/C25H28O/c1-26-25-20-10-18-23(17-8-15-21-11-4-2-5-12-21)24(25)19-9-16-22-13-6-3-7-14-22/h2-7,10-14,18,20H,8-9,15-17,19H2,1H3
InChIKeyVXZPLGDRUGIPPZ-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.05
Rot. Bonds9

About 1-methoxy-2,3-bis(3-phenylpropyl)benzene

1-methoxy-2,3-bis(3-phenylpropyl)benzene (PubChem CID 57054570) has the molecular formula C25H28O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-methoxy-2,3-bis(3-phenylpropyl)benzene.

Molecular Properties

Compound Name1-methoxy-2,3-bis(3-phenylpropyl)benzene
PubChem CID57054570
Molecular FormulaC25H28O
Molecular Weight344.50 g/mol
Exact Mass344.21
IUPAC Name1-methoxy-2,3-bis(3-phenylpropyl)benzene
SMILESCOc1cccc(CCCc2ccccc2)c1CCCc1ccccc1
InChIInChI=1S/C25H28O/c1-26-25-20-10-18-23(17-8-15-21-11-4-2-5-12-21)24(25)19-9-16-22-13-6-3-7-14-22/h2-7,10-14,18,20H,8-9,15-17,19H2,1H3
InChIKeyVXZPLGDRUGIPPZ-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-1-methoxy-3-(2-phenylethyl)benzene
CID 173327548
2-methoxy-6-(5-phenylpentyl)benzoic acid
CID 46735473
4-(2-benzyl-3-methoxyphenyl)butanoic acid
CID 22324958
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
3-methoxy-2-(2-phenylethyl)phenol
CID 44887037
3-benzyl-1,2-dibutyl-4-methoxybenzene
CID 70537049
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096
N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 106261219
(2,3-dipentylphenyl) 4-phenylbutyl carbonate
CID 67260533
N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790238
1-(2-methoxyphenyl)-5-phenylpentan-2-ol
CID 62606153
2-butyl-1,3-dimethoxybenzene
CID 524840

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3-bis(3-phenylpropyl)benzene?
The IUPAC name of 1-methoxy-2,3-bis(3-phenylpropyl)benzene (CID 57054570) is 1-methoxy-2,3-bis(3-phenylpropyl)benzene.
What is the SMILES notation for 1-methoxy-2,3-bis(3-phenylpropyl)benzene?
The canonical SMILES for 1-methoxy-2,3-bis(3-phenylpropyl)benzene is COc1cccc(CCCc2ccccc2)c1CCCc1ccccc1.
What is the InChIKey of 1-methoxy-2,3-bis(3-phenylpropyl)benzene?
The InChIKey is VXZPLGDRUGIPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O/c1-26-25-20-10-18-23(17-8-15-21-11-4-2-5-12-21)24(25)19-9-16-22-13-6-3-7-14-22/h2-7,10-14,18,20H,8-9,15-17,19H2,1H3.
What are the key properties of 1-methoxy-2,3-bis(3-phenylpropyl)benzene?
1-methoxy-2,3-bis(3-phenylpropyl)benzene has a molecular weight of 344.50 g/mol, XLogP of 6.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3-bis(3-phenylpropyl)benzene is sourced from PubChem (CID 57054570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).