1-butan-2-yl-4-(2-phenylethoxy)benzene

C18H22O — CID 90246528

IUPAC1-butan-2-yl-4-(2-phenylethoxy)benzene
SMILESCCC(C)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C18H22O/c1-3-15(2)17-9-11-18(12-10-17)19-14-13-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3
InChIKeyOFCBGMSLPQEPAJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.82
Rot. Bonds6

About 1-butan-2-yl-4-(2-phenylethoxy)benzene

1-butan-2-yl-4-(2-phenylethoxy)benzene (PubChem CID 90246528) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2-phenylethoxy)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(2-phenylethoxy)benzene
PubChem CID90246528
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-butan-2-yl-4-(2-phenylethoxy)benzene
SMILESCCC(C)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C18H22O/c1-3-15(2)17-9-11-18(12-10-17)19-14-13-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3
InChIKeyOFCBGMSLPQEPAJ-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butan-2-yl-4-(2-phenylethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-yl-4-(3-phenylpropoxy)benzene
CID 103601085
3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine
CID 107669015
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
CID 43280157
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
1-butan-2-yl-4-[1-(4-phenylbutoxy)ethoxy]benzene
CID 21363315
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene
CID 173321187
(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
CID 78933443
5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde
CID 54795214

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2-phenylethoxy)benzene?
The IUPAC name of 1-butan-2-yl-4-(2-phenylethoxy)benzene (CID 90246528) is 1-butan-2-yl-4-(2-phenylethoxy)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(2-phenylethoxy)benzene?
The canonical SMILES for 1-butan-2-yl-4-(2-phenylethoxy)benzene is CCC(C)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-(2-phenylethoxy)benzene?
The InChIKey is OFCBGMSLPQEPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-3-15(2)17-9-11-18(12-10-17)19-14-13-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(2-phenylethoxy)benzene?
1-butan-2-yl-4-(2-phenylethoxy)benzene has a molecular weight of 254.37 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2-phenylethoxy)benzene is sourced from PubChem (CID 90246528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).