1-pentoxy-4-phenylbenzene

C17H20O — CID 7021155

IUPAC1-pentoxy-4-phenylbenzene
SMILESCCCCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-2-3-7-14-18-17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7,14H2,1H3
InChIKeyJOYKGBJTAOKAAD-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.92
Rot. Bonds6

About 1-pentoxy-4-phenylbenzene

1-pentoxy-4-phenylbenzene (PubChem CID 7021155) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-pentoxy-4-phenylbenzene.

Molecular Properties

Compound Name1-pentoxy-4-phenylbenzene
PubChem CID7021155
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-pentoxy-4-phenylbenzene
SMILESCCCCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-2-3-7-14-18-17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7,14H2,1H3
InChIKeyJOYKGBJTAOKAAD-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
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

1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
pentoxybenzene;undecane
CID 174778179
1,4-dipentoxybenzene
CID 18314717
1-[(6S)-6-methyldecoxy]-4-phenylbenzene
CID 54076059
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
4-heptoxy-N-[(4-phenylphenyl)methyl]aniline
CID 54799378
(4-phenylphenyl) 4-nonoxybenzoate
CID 71386628

Frequently Asked Questions

What is the IUPAC name of 1-pentoxy-4-phenylbenzene?
The IUPAC name of 1-pentoxy-4-phenylbenzene (CID 7021155) is 1-pentoxy-4-phenylbenzene.
What is the SMILES notation for 1-pentoxy-4-phenylbenzene?
The canonical SMILES for 1-pentoxy-4-phenylbenzene is CCCCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-pentoxy-4-phenylbenzene?
The InChIKey is JOYKGBJTAOKAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-2-3-7-14-18-17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7,14H2,1H3.
What are the key properties of 1-pentoxy-4-phenylbenzene?
1-pentoxy-4-phenylbenzene has a molecular weight of 240.35 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxy-4-phenylbenzene is sourced from PubChem (CID 7021155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).