1-(3,4-dimethylpentyl)-4-methoxybenzene

C14H22O — CID 90900770

IUPAC1-(3,4-dimethylpentyl)-4-methoxybenzene
SMILESCOc1ccc(CCC(C)C(C)C)cc1
InChIInChI=1S/C14H22O/c1-11(2)12(3)5-6-13-7-9-14(15-4)10-8-13/h7-12H,5-6H2,1-4H3
InChIKeySJEVNKLRYOBLHT-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.92
Rot. Bonds5

About 1-(3,4-dimethylpentyl)-4-methoxybenzene

1-(3,4-dimethylpentyl)-4-methoxybenzene (PubChem CID 90900770) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(3,4-dimethylpentyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(3,4-dimethylpentyl)-4-methoxybenzene
PubChem CID90900770
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(3,4-dimethylpentyl)-4-methoxybenzene
SMILESCOc1ccc(CCC(C)C(C)C)cc1
InChIInChI=1S/C14H22O/c1-11(2)12(3)5-6-13-7-9-14(15-4)10-8-13/h7-12H,5-6H2,1-4H3
InChIKeySJEVNKLRYOBLHT-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol
CID 79423809
6-(4-methoxyphenyl)-N,4-dimethylhexan-3-amine
CID 79308478
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
(2S)-2-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-5-methylhexanal
CID 151761034
1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
CID 57147000
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate
CID 66289830
6-(4-methoxyphenyl)-2-methylhexan-3-amine
CID 83932077
1-(4-methoxyphenyl)-4-methyloctan-3-ol
CID 114247161
5-methoxy-1-(4-methoxyphenyl)hexan-3-amine
CID 113391349
N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine
CID 64600673
methyl (2S)-2-[4-(4-methoxyphenyl)butan-2-ylamino]-3-methylbutanoate
CID 43776073

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpentyl)-4-methoxybenzene?
The IUPAC name of 1-(3,4-dimethylpentyl)-4-methoxybenzene (CID 90900770) is 1-(3,4-dimethylpentyl)-4-methoxybenzene.
What is the SMILES notation for 1-(3,4-dimethylpentyl)-4-methoxybenzene?
The canonical SMILES for 1-(3,4-dimethylpentyl)-4-methoxybenzene is COc1ccc(CCC(C)C(C)C)cc1.
What is the InChIKey of 1-(3,4-dimethylpentyl)-4-methoxybenzene?
The InChIKey is SJEVNKLRYOBLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11(2)12(3)5-6-13-7-9-14(15-4)10-8-13/h7-12H,5-6H2,1-4H3.
What are the key properties of 1-(3,4-dimethylpentyl)-4-methoxybenzene?
1-(3,4-dimethylpentyl)-4-methoxybenzene has a molecular weight of 206.33 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpentyl)-4-methoxybenzene is sourced from PubChem (CID 90900770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).