(1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol

C18H22O2 — CID 78933854

IUPAC(1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol
SMILESCc1ccc(OCCCc2ccccc2)c([C@H](C)O)c1
InChIInChI=1S/C18H22O2/c1-14-10-11-18(17(13-14)15(2)19)20-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19H,6,9,12H2,1-2H3/t15-/m0/s1
InChIKeyZLBNZMYAFTUNDW-HNNXBMFYSA-N
MW270.37 g/mol
LogP4.06
Rot. Bonds6

About (1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol

(1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol (PubChem CID 78933854) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol
PubChem CID78933854
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol
SMILESCc1ccc(OCCCc2ccccc2)c([C@H](C)O)c1
InChIInChI=1S/C18H22O2/c1-14-10-11-18(17(13-14)15(2)19)20-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19H,6,9,12H2,1-2H3/t15-/m0/s1
InChIKeyZLBNZMYAFTUNDW-HNNXBMFYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63366399
(1R)-1-[5-bromo-2-(4-phenylbutoxy)phenyl]ethanol
CID 104893887
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
1-[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]ethanol
CID 65445812
(1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol
CID 78931026
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol
CID 113473755
5-methyl-2-(3-phenylpropoxy)benzaldehyde
CID 54794870
1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64565484
(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
CID 103180545

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol (CID 78933854) is (1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol is Cc1ccc(OCCCc2ccccc2)c([C@H](C)O)c1.
What is the InChIKey of (1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol?
The InChIKey is ZLBNZMYAFTUNDW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22O2/c1-14-10-11-18(17(13-14)15(2)19)20-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19H,6,9,12H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol?
(1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol has a molecular weight of 270.37 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol is sourced from PubChem (CID 78933854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).