1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene

C19H24O — CID 164919122

IUPAC1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene
SMILESCCOCc1ccccc1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C19H24O/c1-5-20-14-16-9-6-7-12-18(16)15-10-8-11-17(13-15)19(2,3)4/h6-13H,5,14H2,1-4H3
InChIKeyUTBRDDBKQUUFPL-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.19
Rot. Bonds4

About 1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene

1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene (PubChem CID 164919122) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene
PubChem CID164919122
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene
SMILESCCOCc1ccccc1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C19H24O/c1-5-20-14-16-9-6-7-12-18(16)15-10-8-11-17(13-15)19(2,3)4/h6-13H,5,14H2,1-4H3
InChIKeyUTBRDDBKQUUFPL-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(3-tert-butylphenyl)benzene
CID 164767999
1,2-bis(ethoxymethyl)-3-phenylbenzene
CID 67372084
2-(3-tert-butylphenyl)-1,3-diethylbenzene
CID 173336960
3-(3-tert-butylphenyl)-2-ethoxycarbonylbenzoic acid
CID 91137704
2-(3-tert-butylphenyl)-N-methylaniline
CID 167056451
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
1,2,3,4-tetrakis(ethoxymethyl)-5-phenylbenzene
CID 139792807
ethyl 2-[(2-phenylphenyl)methoxy]acetate
CID 141346159
4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one
CID 10513640
1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene
CID 13375946
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene?
The IUPAC name of 1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene (CID 164919122) is 1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene.
What is the SMILES notation for 1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene?
The canonical SMILES for 1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene is CCOCc1ccccc1-c1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene?
The InChIKey is UTBRDDBKQUUFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-5-20-14-16-9-6-7-12-18(16)15-10-8-11-17(13-15)19(2,3)4/h6-13H,5,14H2,1-4H3.
What are the key properties of 1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene?
1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene has a molecular weight of 268.40 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(ethoxymethyl)phenyl]benzene is sourced from PubChem (CID 164919122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).