1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol

C18H17NO2 — CID 121226356

IUPAC1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol
SMILESCC(O)(c1ccc(Oc2ccccc2)cc1)c1ccc[nH]1
InChIInChI=1S/C18H17NO2/c1-18(20,17-8-5-13-19-17)14-9-11-16(12-10-14)21-15-6-3-2-4-7-15/h2-13,19-20H,1H3
InChIKeyQIWFBXNQOHDJRW-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.06
Rot. Bonds4

About 1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol

1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol (PubChem CID 121226356) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol
PubChem CID121226356
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol
SMILESCC(O)(c1ccc(Oc2ccccc2)cc1)c1ccc[nH]1
InChIInChI=1S/C18H17NO2/c1-18(20,17-8-5-13-19-17)14-9-11-16(12-10-14)21-15-6-3-2-4-7-15/h2-13,19-20H,1H3
InChIKeyQIWFBXNQOHDJRW-UHFFFAOYSA-N
XLogP4.06
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

phenoxybenzene;propane-2,2-diol
CID 174556232
1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol
CID 13463093
4,4-dimethyl-3-(4-phenoxyphenyl)pent-1-yn-3-ol
CID 4674155
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
N-[1-(4-phenoxyphenyl)-2-(1H-pyrrol-2-yl)ethylidene]hydroxylamine
CID 141049999
bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium
CID 161258227
1-phenoxy-4-(2,4,4-trimethylhexan-2-yl)benzene
CID 123620932
1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 68769138
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62795392
4-[4-(2-phenylpropan-2-yl)phenoxy]benzenecarbothioamide
CID 20986191
[4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene
CID 138738136

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol?
The IUPAC name of 1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol (CID 121226356) is 1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for 1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol?
The canonical SMILES for 1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol is CC(O)(c1ccc(Oc2ccccc2)cc1)c1ccc[nH]1.
What is the InChIKey of 1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol?
The InChIKey is QIWFBXNQOHDJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-18(20,17-8-5-13-19-17)14-9-11-16(12-10-14)21-15-6-3-2-4-7-15/h2-13,19-20H,1H3.
What are the key properties of 1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol?
1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol has a molecular weight of 279.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 121226356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).