1-[(2S)-2-methylbutoxy]-2-phenylbenzene

C17H20O — CID 57221058

IUPAC1-[(2S)-2-methylbutoxy]-2-phenylbenzene
SMILESCC[C@H](C)COc1ccccc1-c1ccccc1
InChIInChI=1S/C17H20O/c1-3-14(2)13-18-17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3/t14-/m0/s1
InChIKeyHCAUSLXRNHGOJZ-AWEZNQCLSA-N
MW240.35 g/mol
LogP4.78
Rot. Bonds5

About 1-[(2S)-2-methylbutoxy]-2-phenylbenzene

1-[(2S)-2-methylbutoxy]-2-phenylbenzene (PubChem CID 57221058) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(2S)-2-methylbutoxy]-2-phenylbenzene.

Molecular Properties

Compound Name1-[(2S)-2-methylbutoxy]-2-phenylbenzene
PubChem CID57221058
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-[(2S)-2-methylbutoxy]-2-phenylbenzene
SMILESCC[C@H](C)COc1ccccc1-c1ccccc1
InChIInChI=1S/C17H20O/c1-3-14(2)13-18-17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3/t14-/m0/s1
InChIKeyHCAUSLXRNHGOJZ-AWEZNQCLSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-difluoroethoxy)-2-phenylbenzene
CID 19593759
1-phenyl-2-(2-propan-2-yloxyethoxy)benzene
CID 71073529
1-[2-(bromomethyl)-3-methylbutoxy]-2-phenylbenzene
CID 65011760
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
(2R)-1-chloro-3-(2-phenylphenoxy)propan-2-ol
CID 124571669
3-(2-phenylphenoxy)-2-(propylamino)propan-1-ol
CID 64802633
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118
1-octadecoxy-2-phenylbenzene
CID 70983974
4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine
CID 102199068
3-[2-(2-methylbutoxy)phenyl]-6-octylpyridazine
CID 19909323
CID 90710766
CID 90710766
4-(2-methylbutoxy)-2,3-dihydroinden-1-one
CID 63091746

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylbutoxy]-2-phenylbenzene?
The IUPAC name of 1-[(2S)-2-methylbutoxy]-2-phenylbenzene (CID 57221058) is 1-[(2S)-2-methylbutoxy]-2-phenylbenzene.
What is the SMILES notation for 1-[(2S)-2-methylbutoxy]-2-phenylbenzene?
The canonical SMILES for 1-[(2S)-2-methylbutoxy]-2-phenylbenzene is CC[C@H](C)COc1ccccc1-c1ccccc1.
What is the InChIKey of 1-[(2S)-2-methylbutoxy]-2-phenylbenzene?
The InChIKey is HCAUSLXRNHGOJZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20O/c1-3-14(2)13-18-17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-methylbutoxy]-2-phenylbenzene?
1-[(2S)-2-methylbutoxy]-2-phenylbenzene has a molecular weight of 240.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylbutoxy]-2-phenylbenzene is sourced from PubChem (CID 57221058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).