1-methoxy-4-(4-phenylbutyl)benzene

C17H20O — CID 15647797

IUPAC1-methoxy-4-(4-phenylbutyl)benzene
SMILESCOc1ccc(CCCCc2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-18-17-13-11-16(12-14-17)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-14H,5-6,9-10H2,1H3
InChIKeyBXCORTZDKRERAI-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.26
Rot. Bonds6

About 1-methoxy-4-(4-phenylbutyl)benzene

1-methoxy-4-(4-phenylbutyl)benzene (PubChem CID 15647797) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-methoxy-4-(4-phenylbutyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(4-phenylbutyl)benzene
PubChem CID15647797
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-methoxy-4-(4-phenylbutyl)benzene
SMILESCOc1ccc(CCCCc2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-18-17-13-11-16(12-14-17)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-14H,5-6,9-10H2,1H3
InChIKeyBXCORTZDKRERAI-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 54077830
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651
2-(4-methoxyphenyl)-5-(4-phenylbutyl)pyrimidine
CID 23361560
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
6-(4-methoxyphenyl)hexane-1-thiol
CID 10799192
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
1-methoxy-4-(3-phenylpropylsulfonyl)benzene
CID 54270820
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-phenylbutyl)benzene?
The IUPAC name of 1-methoxy-4-(4-phenylbutyl)benzene (CID 15647797) is 1-methoxy-4-(4-phenylbutyl)benzene.
What is the SMILES notation for 1-methoxy-4-(4-phenylbutyl)benzene?
The canonical SMILES for 1-methoxy-4-(4-phenylbutyl)benzene is COc1ccc(CCCCc2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-(4-phenylbutyl)benzene?
The InChIKey is BXCORTZDKRERAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-18-17-13-11-16(12-14-17)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-14H,5-6,9-10H2,1H3.
What are the key properties of 1-methoxy-4-(4-phenylbutyl)benzene?
1-methoxy-4-(4-phenylbutyl)benzene has a molecular weight of 240.35 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-phenylbutyl)benzene is sourced from PubChem (CID 15647797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).