2-phenoxy-1-(3-propylphenyl)ethanol

C17H20O2 — CID 116543555

IUPAC2-phenoxy-1-(3-propylphenyl)ethanol
SMILESCCCc1cccc(C(O)COc2ccccc2)c1
InChIInChI=1S/C17H20O2/c1-2-7-14-8-6-9-15(12-14)17(18)13-19-16-10-4-3-5-11-16/h3-6,8-12,17-18H,2,7,13H2,1H3
InChIKeyNBJLILHCCXEQOX-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.75
Rot. Bonds6

About 2-phenoxy-1-(3-propylphenyl)ethanol

2-phenoxy-1-(3-propylphenyl)ethanol (PubChem CID 116543555) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-phenoxy-1-(3-propylphenyl)ethanol.

Molecular Properties

Compound Name2-phenoxy-1-(3-propylphenyl)ethanol
PubChem CID116543555
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name2-phenoxy-1-(3-propylphenyl)ethanol
SMILESCCCc1cccc(C(O)COc2ccccc2)c1
InChIInChI=1S/C17H20O2/c1-2-7-14-8-6-9-15(12-14)17(18)13-19-16-10-4-3-5-11-16/h3-6,8-12,17-18H,2,7,13H2,1H3
InChIKeyNBJLILHCCXEQOX-UHFFFAOYSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenoxy-1-(4-propylphenyl)ethanol
CID 54943234
1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol
CID 105131085
3-phenoxy-1-(4-propylphenyl)propan-1-ol
CID 62802067
2-[4-(2-methoxyethyl)phenoxy]-1-phenylethanol
CID 60730618
2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918071
3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol
CID 82185180
1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
CID 110907759
1-(2,2-difluoroethoxy)-3-propylbenzene
CID 163241984
(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
CID 130373001
1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol
CID 116543492
1-phenylmethoxy-3-propylbenzene
CID 58977798
(4-methoxyphenyl)-(3-propylphenyl)methanol
CID 116542361

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(3-propylphenyl)ethanol?
The IUPAC name of 2-phenoxy-1-(3-propylphenyl)ethanol (CID 116543555) is 2-phenoxy-1-(3-propylphenyl)ethanol.
What is the SMILES notation for 2-phenoxy-1-(3-propylphenyl)ethanol?
The canonical SMILES for 2-phenoxy-1-(3-propylphenyl)ethanol is CCCc1cccc(C(O)COc2ccccc2)c1.
What is the InChIKey of 2-phenoxy-1-(3-propylphenyl)ethanol?
The InChIKey is NBJLILHCCXEQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-2-7-14-8-6-9-15(12-14)17(18)13-19-16-10-4-3-5-11-16/h3-6,8-12,17-18H,2,7,13H2,1H3.
What are the key properties of 2-phenoxy-1-(3-propylphenyl)ethanol?
2-phenoxy-1-(3-propylphenyl)ethanol has a molecular weight of 256.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(3-propylphenyl)ethanol is sourced from PubChem (CID 116543555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).