1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol

C17H20O2 — CID 174757084

IUPAC1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol
SMILESCC(O)Oc1ccccc1C(C)(C)c1ccccc1
InChIInChI=1S/C17H20O2/c1-13(18)19-16-12-8-7-11-15(16)17(2,3)14-9-5-4-6-10-14/h4-13,18H,1-3H3
InChIKeyUZSLEQRVGXCGRP-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.73
Rot. Bonds4

About 1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol

1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol (PubChem CID 174757084) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol.

Molecular Properties

Compound Name1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol
PubChem CID174757084
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol
SMILESCC(O)Oc1ccccc1C(C)(C)c1ccccc1
InChIInChI=1S/C17H20O2/c1-13(18)19-16-12-8-7-11-15(16)17(2,3)14-9-5-4-6-10-14/h4-13,18H,1-3H3
InChIKeyUZSLEQRVGXCGRP-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-phenylpropan-2-yl)phenoxy]aniline
CID 67055511
1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol
CID 69171334
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
1-[2-[2-[2-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate
CID 22011551
1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene
CID 156695476
propan-2-yl 2-(2-phenylpropan-2-yl)benzoate
CID 175400116
2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 67586644
[4-(2-phenylpropan-2-yl)phenoxy]methanediol
CID 134502712
[2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate
CID 174387822
2-phenylpropan-2-ylbenzene
CID 13065
1-phenoxyethanol
CID 66611531

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol?
The IUPAC name of 1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol (CID 174757084) is 1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol.
What is the SMILES notation for 1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol?
The canonical SMILES for 1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol is CC(O)Oc1ccccc1C(C)(C)c1ccccc1.
What is the InChIKey of 1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol?
The InChIKey is UZSLEQRVGXCGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-13(18)19-16-12-8-7-11-15(16)17(2,3)14-9-5-4-6-10-14/h4-13,18H,1-3H3.
What are the key properties of 1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol?
1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol has a molecular weight of 256.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol is sourced from PubChem (CID 174757084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).