(E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid

C19H20O3 — CID 70116548

IUPAC(E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid
SMILESC/C(=C\CC(O)Cc1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C19H20O3/c1-14(19(21)22)11-12-17(20)13-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-11,17,20H,12-13H2,1H3,(H,21,22)/b14-11+
InChIKeyOWOPYUPKOBYUGT-SDNWHVSQSA-N
MW296.37 g/mol
LogP3.68
Rot. Bonds6

About (E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid

(E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid (PubChem CID 70116548) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid.

Molecular Properties

Compound Name(E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid
PubChem CID70116548
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid
SMILESC/C(=C\CC(O)Cc1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C19H20O3/c1-14(19(21)22)11-12-17(20)13-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-11,17,20H,12-13H2,1H3,(H,21,22)/b14-11+
InChIKeyOWOPYUPKOBYUGT-SDNWHVSQSA-N
XLogP3.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-(2-phenylphenyl)butanoic acid
CID 53424527
3-(2-phenylphenyl)propane-1,2-diol
CID 154118569
2-hydroxy-3-(2-phenylphenyl)propanoic acid
CID 150667818
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
[2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate
CID 54032362
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
(E)-2,5-dimethyl-6-phenylhex-2-enoic acid
CID 67879013
1-(2-phenylphenyl)propan-2-yl formate
CID 22558445
(E)-2-methyl-4-(3-methyl-1,4-dioxonaphthalen-2-yl)but-2-enoic acid
CID 12940818
5-hydroxy-2-methyloct-2-enoic acid
CID 56988167
1-[2-hydroxy-3-(2-phenylphenyl)propyl]pyrrolidine-3,4-diol
CID 21396209
(E)-5-hydroxy-6-methoxy-2-methylhex-2-enoic acid
CID 87432109

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid?
The IUPAC name of (E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid (CID 70116548) is (E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid.
What is the SMILES notation for (E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid?
The canonical SMILES for (E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid is C/C(=C\CC(O)Cc1ccccc1-c1ccccc1)C(=O)O.
What is the InChIKey of (E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid?
The InChIKey is OWOPYUPKOBYUGT-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H20O3/c1-14(19(21)22)11-12-17(20)13-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-11,17,20H,12-13H2,1H3,(H,21,22)/b14-11+.
What are the key properties of (E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid?
(E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid has a molecular weight of 296.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid is sourced from PubChem (CID 70116548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).