1-phenyl-4-(1-propoxyethyl)benzene

C17H20O — CID 56976373

IUPAC1-phenyl-4-(1-propoxyethyl)benzene
SMILESCCCOC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-3-13-18-14(2)15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3
InChIKeyAGVDJLMIYGQIQN-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.84
Rot. Bonds5

About 1-phenyl-4-(1-propoxyethyl)benzene

1-phenyl-4-(1-propoxyethyl)benzene (PubChem CID 56976373) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-phenyl-4-(1-propoxyethyl)benzene.

Molecular Properties

Compound Name1-phenyl-4-(1-propoxyethyl)benzene
PubChem CID56976373
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-phenyl-4-(1-propoxyethyl)benzene
SMILESCCCOC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-3-13-18-14(2)15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3
InChIKeyAGVDJLMIYGQIQN-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-hexoxyethyl)-4-phenylbenzene
CID 57158562
1-(1-hexadecoxyethyl)-4-phenylbenzene
CID 57138452
1-(1-octoxyethyl)-4-phenylbenzene
CID 57076117
1-(1-heptoxyethyl)-4-phenylbenzene
CID 57043639
4-[4-(1-propoxyethyl)phenyl]phenol
CID 14533191
1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene
CID 139694252
1-phenyl-2-[4-(1-undecoxyethyl)phenyl]benzene
CID 139693626
4-(1-propoxyethyl)benzoic acid
CID 14473433
1-pentoxyethylbenzene;hydrate
CID 174634303
1-butoxy-4-[2-[4-(1-butoxyethyl)phenyl]phenyl]benzene
CID 139693754
1-(1-decoxyethyl)-4-(4-propoxyphenyl)benzene
CID 139693864
1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene
CID 139693595

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(1-propoxyethyl)benzene?
The IUPAC name of 1-phenyl-4-(1-propoxyethyl)benzene (CID 56976373) is 1-phenyl-4-(1-propoxyethyl)benzene.
What is the SMILES notation for 1-phenyl-4-(1-propoxyethyl)benzene?
The canonical SMILES for 1-phenyl-4-(1-propoxyethyl)benzene is CCCOC(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-(1-propoxyethyl)benzene?
The InChIKey is AGVDJLMIYGQIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-3-13-18-14(2)15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3.
What are the key properties of 1-phenyl-4-(1-propoxyethyl)benzene?
1-phenyl-4-(1-propoxyethyl)benzene has a molecular weight of 240.35 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(1-propoxyethyl)benzene is sourced from PubChem (CID 56976373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).