(1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol

C17H20O2 — CID 63372506

IUPAC(1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol
SMILESCC(C)c1cccc(Oc2ccccc2[C@H](C)O)c1
InChIInChI=1S/C17H20O2/c1-12(2)14-7-6-8-15(11-14)19-17-10-5-4-9-16(17)13(3)18/h4-13,18H,1-3H3/t13-/m0/s1
InChIKeyIJYRDLJEJKSCFK-ZDUSSCGKSA-N
MW256.35 g/mol
LogP4.66
Rot. Bonds4

About (1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol

(1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol (PubChem CID 63372506) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is (1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol
PubChem CID63372506
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name(1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol
SMILESCC(C)c1cccc(Oc2ccccc2[C@H](C)O)c1
InChIInChI=1S/C17H20O2/c1-12(2)14-7-6-8-15(11-14)19-17-10-5-4-9-16(17)13(3)18/h4-13,18H,1-3H3/t13-/m0/s1
InChIKeyIJYRDLJEJKSCFK-ZDUSSCGKSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43285337
(1S)-1-[2-(3-iodophenoxy)phenyl]ethanol
CID 78941728
(1R)-1-[2-(3-iodophenoxy)phenyl]ethanol
CID 55183774
(1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol
CID 78944861
1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene
CID 175733827
1-[2-(3-nitrophenoxy)phenyl]ethanol
CID 54915432
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
CID 54898383
ethane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene
CID 178128106
1-(3-phenoxyphenyl)ethanol
CID 12882419
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol
CID 43510297
(1R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 55183055

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol (CID 63372506) is (1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol is CC(C)c1cccc(Oc2ccccc2[C@H](C)O)c1.
What is the InChIKey of (1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol?
The InChIKey is IJYRDLJEJKSCFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20O2/c1-12(2)14-7-6-8-15(11-14)19-17-10-5-4-9-16(17)13(3)18/h4-13,18H,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol?
(1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol has a molecular weight of 256.35 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol is sourced from PubChem (CID 63372506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).