1-(2-phenylethoxy)-4-propylbenzene

C17H20O — CID 70483798

IUPAC1-(2-phenylethoxy)-4-propylbenzene
SMILESCCCc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-2-6-15-9-11-17(12-10-15)18-14-13-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-14H2,1H3
InChIKeyBREUDLPOVROSLJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.26
Rot. Bonds6

About 1-(2-phenylethoxy)-4-propylbenzene

1-(2-phenylethoxy)-4-propylbenzene (PubChem CID 70483798) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-phenylethoxy)-4-propylbenzene.

Molecular Properties

Compound Name1-(2-phenylethoxy)-4-propylbenzene
PubChem CID70483798
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-(2-phenylethoxy)-4-propylbenzene
SMILESCCCc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-2-6-15-9-11-17(12-10-15)18-14-13-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-14H2,1H3
InChIKeyBREUDLPOVROSLJ-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

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Related Compounds

butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
1-nonoxy-4-propylbenzene
CID 118632119
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
1-butoxy-4-(2-phenylsulfanylethyl)benzene;pentahydrofluoride
CID 67939398
N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800211
N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
CID 43280157
propylbenzene;hydrobromide
CID 70024036

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethoxy)-4-propylbenzene?
The IUPAC name of 1-(2-phenylethoxy)-4-propylbenzene (CID 70483798) is 1-(2-phenylethoxy)-4-propylbenzene.
What is the SMILES notation for 1-(2-phenylethoxy)-4-propylbenzene?
The canonical SMILES for 1-(2-phenylethoxy)-4-propylbenzene is CCCc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 1-(2-phenylethoxy)-4-propylbenzene?
The InChIKey is BREUDLPOVROSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-2-6-15-9-11-17(12-10-15)18-14-13-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-14H2,1H3.
What are the key properties of 1-(2-phenylethoxy)-4-propylbenzene?
1-(2-phenylethoxy)-4-propylbenzene 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-(2-phenylethoxy)-4-propylbenzene is sourced from PubChem (CID 70483798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).