ethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol

C16H21NO — CID 91077797

IUPACethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol
SMILESC/C(=C\C1=NC=CC1)C(O)c1ccccc1.CC
InChIInChI=1S/C14H15NO.C2H6/c1-11(10-13-8-5-9-15-13)14(16)12-6-3-2-4-7-12;1-2/h2-7,9-10,14,16H,8H2,1H3;1-2H3/b11-10+;
InChIKeyBVJKFFWQXCHSOO-ASTDGNLGSA-N
MW243.35 g/mol
LogP4.05
Rot. Bonds3

About ethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol

ethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol (PubChem CID 91077797) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is ethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Nameethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol
PubChem CID91077797
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Nameethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol
SMILESC/C(=C\C1=NC=CC1)C(O)c1ccccc1.CC
InChIInChI=1S/C14H15NO.C2H6/c1-11(10-13-8-5-9-15-13)14(16)12-6-3-2-4-7-12;1-2/h2-7,9-10,14,16H,8H2,1H3;1-2H3/b11-10+;
InChIKeyBVJKFFWQXCHSOO-ASTDGNLGSA-N
XLogP4.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 656502
(2E)-2-hydroxyimino-1-phenylpropan-1-ol
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CID 58308766
1-Hydroxy-1h-benzo[d]azepine
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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
9-Fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol
CID 142980732
(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

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol?
The IUPAC name of ethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol (CID 91077797) is ethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol.
What is the SMILES notation for ethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol?
The canonical SMILES for ethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol is C/C(=C\C1=NC=CC1)C(O)c1ccccc1.CC.
What is the InChIKey of ethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol?
The InChIKey is BVJKFFWQXCHSOO-ASTDGNLGSA-N. The full InChI is InChI=1S/C14H15NO.C2H6/c1-11(10-13-8-5-9-15-13)14(16)12-6-3-2-4-7-12;1-2/h2-7,9-10,14,16H,8H2,1H3;1-2H3/b11-10+;.
What are the key properties of ethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol?
ethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol has a molecular weight of 243.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 91077797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).