ethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol

C16H23NO — CID 90906870

IUPACethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol
SMILESCC.CC(CC1=NC=CC1)C(O)c1ccccc1
InChIInChI=1S/C14H17NO.C2H6/c1-11(10-13-8-5-9-15-13)14(16)12-6-3-2-4-7-12;1-2/h2-7,9,11,14,16H,8,10H2,1H3;1-2H3
InChIKeyFVRNNOAPYCLBRB-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.13
Rot. Bonds4

About ethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol

ethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol (PubChem CID 90906870) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is ethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol.

Molecular Properties

Compound Nameethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol
PubChem CID90906870
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Nameethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol
SMILESCC.CC(CC1=NC=CC1)C(O)c1ccccc1
InChIInChI=1S/C14H17NO.C2H6/c1-11(10-13-8-5-9-15-13)14(16)12-6-3-2-4-7-12;1-2/h2-7,9,11,14,16H,8,10H2,1H3;1-2H3
InChIKeyFVRNNOAPYCLBRB-UHFFFAOYSA-N
XLogP4.13
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-2-Methylimino-1-phenylpropan-1-ol
CID 656502
2-Imino-1-hydroxy-1-phenylpropane
CID 58308766
1-Hydroxy-1h-benzo[d]azepine
CID 67873283
2-Methylimino-1-phenylpropan-1-ol
CID 78202320
methyl N-[(1E,3E)-5-(3-fluorophenyl)-5-hydroxy-2-phenylpenta-1,3-dienyl]ethanimidate
CID 129156923
1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol
CID 134287066
(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol
CID 145107690
1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol
CID 147898535
[4-fluoro-2-[(E)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
CID 152840053
[4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
CID 152840054
[2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol
CID 157307258
(2-cyclobutyl-4-fluorophenyl)-(3H-pyrrol-2-yl)methanol
CID 157827589

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol?
The IUPAC name of ethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol (CID 90906870) is ethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol.
What is the SMILES notation for ethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol?
The canonical SMILES for ethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol is CC.CC(CC1=NC=CC1)C(O)c1ccccc1.
What is the InChIKey of ethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol?
The InChIKey is FVRNNOAPYCLBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C2H6/c1-11(10-13-8-5-9-15-13)14(16)12-6-3-2-4-7-12;1-2/h2-7,9,11,14,16H,8,10H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol?
ethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol is sourced from PubChem (CID 90906870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).