1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene

C35H48O2 — CID 11569608

IUPAC1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene
SMILESCOc1ccc(CCCCCCCCCCCCc2ccc(OC)c(C(C)C)c2)cc1-c1ccccc1
InChIInChI=1S/C35H48O2/c1-28(2)32-26-29(22-24-34(32)36-3)18-14-11-9-7-5-6-8-10-12-15-19-30-23-25-35(37-4)33(27-30)31-20-16-13-17-21-31/h13,16-17,20-28H,5-12,14-15,18-19H2,1-4H3
InChIKeyWUTNPKGKYOIPCW-UHFFFAOYSA-N
MW500.77 g/mol
LogP10.18
Rot. Bonds17

About 1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene

1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene (PubChem CID 11569608) has the molecular formula C35H48O2 and a molecular weight of 500.77 g/mol. Its IUPAC name is 1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene
PubChem CID11569608
Molecular FormulaC35H48O2
Molecular Weight500.77 g/mol
Exact Mass500.37
IUPAC Name1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene
SMILESCOc1ccc(CCCCCCCCCCCCc2ccc(OC)c(C(C)C)c2)cc1-c1ccccc1
InChIInChI=1S/C35H48O2/c1-28(2)32-26-29(22-24-34(32)36-3)18-14-11-9-7-5-6-8-10-12-15-19-30-23-25-35(37-4)33(27-30)31-20-16-13-17-21-31/h13,16-17,20-28H,5-12,14-15,18-19H2,1-4H3
InChIKeyWUTNPKGKYOIPCW-UHFFFAOYSA-N
XLogP10.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.77
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
CID 163377100
6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine
CID 83926840
O-[2-(4-methoxy-3-phenylphenyl)ethyl]hydroxylamine
CID 117360142
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
4-benzyl-1-methoxy-2-phenylbenzene
CID 19420150
4-(bromomethyl)-1-methoxy-2-phenylbenzene
CID 143810171
3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770
5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
CID 83926893
4-(4-methoxy-3-propan-2-ylphenyl)butanethioamide
CID 83926834
(4-hexyl-2-phenylphenyl) hydrogen carbonate
CID 66629329

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene?
The IUPAC name of 1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene (CID 11569608) is 1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene.
What is the SMILES notation for 1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene?
The canonical SMILES for 1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene is COc1ccc(CCCCCCCCCCCCc2ccc(OC)c(C(C)C)c2)cc1-c1ccccc1.
What is the InChIKey of 1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene?
The InChIKey is WUTNPKGKYOIPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48O2/c1-28(2)32-26-29(22-24-34(32)36-3)18-14-11-9-7-5-6-8-10-12-15-19-30-23-25-35(37-4)33(27-30)31-20-16-13-17-21-31/h13,16-17,20-28H,5-12,14-15,18-19H2,1-4H3.
What are the key properties of 1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene?
1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene has a molecular weight of 500.77 g/mol, XLogP of 10.18, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene is sourced from PubChem (CID 11569608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).