2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene

C20H26O2 — CID 144703665

IUPAC2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene
SMILESCCCC(C)c1ccc(OC(C)c2ccccc2)c(OC)c1
InChIInChI=1S/C20H26O2/c1-5-9-15(2)18-12-13-19(20(14-18)21-4)22-16(3)17-10-7-6-8-11-17/h6-8,10-16H,5,9H2,1-4H3
InChIKeyKTTDHSLNDZZZDZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.74
Rot. Bonds7

About 2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene

2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene (PubChem CID 144703665) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene.

Molecular Properties

Compound Name2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene
PubChem CID144703665
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene
SMILESCCCC(C)c1ccc(OC(C)c2ccccc2)c(OC)c1
InChIInChI=1S/C20H26O2/c1-5-9-15(2)18-12-13-19(20(14-18)21-4)22-16(3)17-10-7-6-8-11-17/h6-8,10-16H,5,9H2,1-4H3
InChIKeyKTTDHSLNDZZZDZ-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
pentan-2-ylbenzene
CID 17627
methyl 3-methoxy-4-[(1S)-1-phenylethoxy]benzoate
CID 121407788
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]pentanoic acid
CID 83037676
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
3-(4-ethoxy-3-methoxyphenyl)butane-1-thiol
CID 83938307
5-(3-methoxy-4-propoxyphenyl)hexan-2-amine
CID 83938489
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
5-(4-ethoxy-3-methoxyphenyl)hexan-2-one
CID 83938305

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene?
The IUPAC name of 2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene (CID 144703665) is 2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene.
What is the SMILES notation for 2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene?
The canonical SMILES for 2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene is CCCC(C)c1ccc(OC(C)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene?
The InChIKey is KTTDHSLNDZZZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-5-9-15(2)18-12-13-19(20(14-18)21-4)22-16(3)17-10-7-6-8-11-17/h6-8,10-16H,5,9H2,1-4H3.
What are the key properties of 2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene?
2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene has a molecular weight of 298.43 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene is sourced from PubChem (CID 144703665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).